Vitas-M small molecule compound
2-{(1Z)-2-cyano-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-nitrobenzenesulfonate
Catalog ID
STK379130
SMILES N#C/C(=C/c1ccccc1OS(=O)(=O)c1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1ccc(cc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H17N3O6S MW 463.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O6S/c1-16-6-8-19(9-7-16)25-23(27)18(15-24)14-17-4-2-3-5-22(17)32-33(30,31)21-12-10-20(11-13-21)26(28)29/h2-14H,1H3,(H,25,27)/b18-14-InChIKey
AVPHHJSVDXXZEG-JXAWBTAJSA-NSynonyms
(2((Z)2cyano3(4methylanilino)3oxoprop1enyl)phenyl)4nitrobenzenesulfonate
2((1Z)2CYANO2(N(4METHYLPHENYL)CARBAMOYL)VINYL)PHENYL4NITROBENZENESULFONATE
2((1Z)2cyano3((4methylphenyl)amino)3oxoprop1en1yl)phenyl4nitrobenzenesulfonate
CC1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)(N+)(=O)(O))C#N
InChI=1SC23H17N3O6Sc1166819(9716)2523(27)18(1524)1417423522(17)3233(3031)21121020(111321)26(28)29h214H1H3(H2527)b1814
MFCD01874706
N#CC(=Cc1ccccc1OS(=O)(=O)c1ccc(cc1)(N+)(=O)(O))C(=O)Nc1ccc(cc1)C
ZINC000008860751
ZINC08860751
ZINC8860751
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