Vitas-M small molecule compound
(2Z)-2-cyano-N-(2,5-dimethylphenyl)-2-[(5E)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Catalog ID
STL069926
SMILES N#C/C(=c\1/s/c(=C/c2ccc(o2)c2ccccc2[N+](=O)[O-])/c(=O)n1c1ccccc1)/C(=O)Nc1cc(C)ccc1C
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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 C31H22N4O5S MW 562.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22N4O5S/c1-19-12-13-20(2)25(16-19)33-29(36)24(18-32)31-34(21-8-4-3-5-9-21)30(37)28(41-31)17-22-14-15-27(40-22)23-10-6-7-11-26(23)35(38)39/h3-17H,1-2H3,(H,33,36)/b28-17+,31-24-InChIKey
RDDVSEVOJXXAMZ-LLLYFUSZSA-NSynonyms
(2Z)2CYANON(25DIMETHYLPHENYL)2((5E)5((5(2NITROPHENYL)FURAN2YL)METHYLIDENE)4OXO3PHENYL13THIAZOLIDIN2YLIDENE)ACETAMIDE
(2Z)2cyanoN(25dimethylphenyl)2((5E)5((5(2nitrophenyl)furan2yl)methylidene)4oxo3phenyl13thiazolidin2ylidene)ethanamide
(E)2cyanoN(25dimethylphenyl)2((E)5((5(2nitrophenyl)furan2yl)methylene)4oxo3phenylthiazolidin2ylidene)acetamide
CC1=CC(=C(C=C1)C)NC(=O)C(=C2N(C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4(N+)(=O)(O))S2)C5=CC=CC=C5)C#N
InChI=1SC31H22N4O5Sc119121320(2)25(1619)3329(36)24(1832)3134(218435921)30(37)28(4131)1722141527(4022)2310671126(23)35(38)39h317H12H3(H3336)b2817+3124
MFCD06438485
N#CC(=c1sc(=Cc2ccc(o2)c2ccccc2(N+)(=O)(O))c(=O)n1c1ccccc1)C(=O)Nc1cc(C)ccc1C
N(25DIMETHYLPHENYL)2CYANO2(5((5(2NITROPHENYL)(2FURYL))METHYLENE)4OXO3PHENYL(13THIAZOLIDIN2YLIDENE))ACETAMIDE
ZINC000100989060
ZINC100989060
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