Vitas-M small molecule compound
ethyl (5Z)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL416834
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2ccc(o2)c2ccc(cc2Cl)[N+](=O)[O-])/C1=O
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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 C24H17ClN2O6S MW 496.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17ClN2O6S/c1-2-32-24(29)21-22(28)20(34-23(21)26-14-6-4-3-5-7-14)13-16-9-11-19(33-16)17-10-8-15(27(30)31)12-18(17)25/h3-13,26H,2H2,1H3/b20-13-InChIKey
NLAFRSFOQGDGSI-MOSHPQCFSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(o2)c2ccc(cc2Cl)(N+)(=O)(O))C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(O2)C3=C(C=C(C=C3)(N+)(=O)(O))Cl)C1=O)NC4=CC=CC=C4
ETHYL(5Z)2ANILINO5((5(2CHLORO4NITROPHENYL)FURAN2YL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5((5(2chloro4nitrophenyl)furan2yl)methylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
InChI=1SC24H17ClN2O6Sc123224(29)2122(28)20(3423(21)26146435714)131691119(3316)1710815(27(30)31)1218(17)25h31326H2H21H3b2013
MFCD03712332
ZINC000006173530
ZINC06173530
ZINC6173530
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