Vitas-M small molecule compound
(2Z)-2-cyano-N-(3,4-dimethylphenyl)-2-[(5E)-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Catalog ID
STL069937
SMILES N#C/C(=c\1/s/c(=C/c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/c(=O)n1c1ccccc1)/C(=O)Nc1ccc(c(c1)C)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 C31H22N4O5S MW 562.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22N4O5S/c1-19-8-11-22(16-20(19)2)33-29(36)26(18-32)31-34(23-6-4-3-5-7-23)30(37)28(41-31)17-25-14-15-27(40-25)21-9-12-24(13-10-21)35(38)39/h3-17H,1-2H3,(H,33,36)/b28-17+,31-26-InChIKey
BJWJCORZYKGEHM-QPVKGUELSA-NSynonyms
(2Z)2CYANON(34DIMETHYLPHENYL)2((5E)5((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)4OXO3PHENYL13THIAZOLIDIN2YLIDENE)ACETAMIDE
(2Z)2cyanoN(34dimethylphenyl)2((5E)5((5(4nitrophenyl)furan2yl)methylidene)4oxo3phenyl13thiazolidin2ylidene)ethanamide
(E)2cyanoN(34dimethylphenyl)2((E)5((5(4nitrophenyl)furan2yl)methylene)4oxo3phenylthiazolidin2ylidene)acetamide
CC1=C(C=C(C=C1)NC(=O)C(=C2N(C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)(N+)(=O)(O))S2)C5=CC=CC=C5)C#N)C
InChI=1SC31H22N4O5Sc11981122(1620(19)2)3329(36)26(1832)3134(236435723)30(37)28(4131)1725141527(4025)2191224(131021)35(38)39h317H12H3(H3336)b2817+3126
MFCD06438529
N#CC(=c1sc(=Cc2ccc(o2)c2ccc(cc2)(N+)(=O)(O))c(=O)n1c1ccccc1)C(=O)Nc1ccc(c(c1)C)C
N(34DIMETHYLPHENYL)2CYANO2(5((5(4NITROPHENYL)(2FURYL))METHYLENE)4OXO3PHENYL(13THIAZOLIDIN2YLIDENE))ACETAMIDE
ZINC000100989101
ZINC100989101
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