Vitas-M small molecule compound
ethyl 2-({(2E)-2-cyano-3-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]prop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK949527
SMILES CCOC(=O)c1c(NC(=O)/C(=C/c2cccn2c2ccc(cc2)[N+](=O)[O-])/C#N)sc(c1C)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 C23H20N4O5S MW 464.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O5S/c1-4-32-23(29)20-14(2)15(3)33-22(20)25-21(28)16(13-24)12-19-6-5-11-26(19)17-7-9-18(10-8-17)27(30)31/h5-12H,4H2,1-3H3,(H,25,28)/b16-12+InChIKey
FTOFQLKWELNSCU-FOWTUZBSSA-NSynonyms
496021-72-8496021728
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC=CN2C3=CC=C(C=C3)(N+)(=O)(O))C#N
CCOC(=O)c1c(NC(=O)C(=Cc2cccn2c2ccc(cc2)(N+)(=O)(O))C#N)sc(c1C)C
ethyl2(((2E)2cyano3(1(4nitrophenyl)1Hpyrrol2yl)prop2enoyl)amino)45dimethylthiophene3carboxylate
ETHYL2(((E)2CYANO3(1(4NITROPHENYL)PYRROL2YL)PROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ETHYL2((2E)2CYANO3(1(4NITROPHENYL)PYRROL2YL)PROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
InChI=1SC23H20N4O5Sc143223(29)2014(2)15(3)3322(20)2521(28)16(1324)1219651126(19)177918(10817)27(30)31h512H4H213H3(H2528)b1612+
MFCD03620123
ZINC000002669831
ZINC02669831
ZINC2669831
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