Vitas-M small molecule compound
2-{[(2E)-2-cyano-3-(4-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK867484
SMILES N#C/C(=C\c1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1sc2c(c1C(=O)N)CCCC2
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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 C19H16N4O4S MW 396.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O4S/c20-10-12(9-11-5-7-13(8-6-11)23(26)27)18(25)22-19-16(17(21)24)14-3-1-2-4-15(14)28-19/h5-9H,1-4H2,(H2,21,24)(H,22,25)/b12-9+InChIKey
KWEIREZCXWUGOR-FMIVXFBMSA-NSynonyms
(Z)2(2cyano3(4nitrophenyl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxamide
2(((2E)2cyano3(4nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
2(((E)2cyano3(4nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
C1CCC2=C(C1)C(=C(S2)NC(=O)C(=CC3=CC=C(C=C3)(N+)(=O)(O))C#N)C(=O)N
InChI=1SC19H16N4O4Sc201012(9115713(8611)23(26)27)18(25)221916(17(21)24)14312415(14)2819h59H14H2(H22124)(H2225)b129+
MFCD02327743
N#CC(=Cc1ccc(cc1)(N+)(=O)(O))C(=O)Nc1sc2c(c1C(=O)N)CCCC2
ZINC000002277517
ZINC02277517
ZINC2277517
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