| SpectraBase Spectrum ID |
5Cz4LJPsyOk |
| Name |
2,4-Bis-[(2E)-2-(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-(4-chlorophenyl)-4-oxobutanoyl]diamino-5-[(3,4,5-trimethoxybenzyl)]pyrimidine |
| Appearance |
Brown crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C54H42Cl2N6O11 |
| InChI |
InChI=1S/C54H42Cl2N6O11/c1-28(63)61-40-12-8-6-10-36(40)46(52(61)69)38(25-42(65)31-14-18-34(55)19-15-31)50(67)58-49-33(22-30-23-44(71-3)48(73-5)45(24-30)72-4)27-57-54(59-49)60-51(68)39(26-43(66)32-16-20-35(56)21-17-32)47-37-11-7-9-13-41(37)62(29(2)64)53(47)70/h6-21,23-24,27H,22,25-26H2,1-5H3,(H2,57,58,59,60,67,68)/b46-38+,47-39+ |
| InChIKey |
CWDNAHQKTNJLNN-ATKTXSIUSA-N |
| Instrument Name |
VG Trio-2 or Gc/Ms-QPL000EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0007.a19 |
| Molecular Weight |
1021.867 g/mol |
| SMILES |
N(C(\C(=C\1C(N(c2c1cccc2)C(C)=O)=O)CC(=O)c1ccc(cc1)Cl)=O)c1ncc(c(n1)NC(\C(=C/1c2c(N(C1=O)C(C)=O)cccc2)CC(c1ccc(cc1)Cl)=O)=O)Cc1cc(OC)c(OC)c(OC)c1 |
| SPLASH |
splash10-03fr-8902000000-407e74dfdf551383ae16 |
| Source of Spectrum |
ARK-2006-168-6d |
| Wiley ID |
1871136 |
![2,4-Bis-[(2E)-2-(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-(4-chlorophenyl)-4-oxobutanoyl]diamino-5-[(3,4,5-trimethoxybenzyl)]pyrimidine](/api/spectrum/5Cz4LJPsyOk/structure.png?h=300&w=458 "2,4-Bis-[(2E)-2-(1-Acetyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-(4-chlorophenyl)-4-oxobutanoyl]diamino-5-[(3,4,5-trimethoxybenzyl)]pyrimidine")
