Vitas-M small molecule compound
(2E)-2-cyano-N-(4-ethoxyphenyl)-2-[(5E)-5-(4-nitrobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide
Catalog ID
STL040772
SMILES CCOc1ccc(cc1)NC(=O)/C(=c\1/s/c(=C/c2ccc(cc2)[N+](=O)[O-])/c(=O)n1c1ccccc1)/C#N
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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 C27H20N4O5S MW 512.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N4O5S/c1-2-36-22-14-10-19(11-15-22)29-25(32)23(17-28)27-30(20-6-4-3-5-7-20)26(33)24(37-27)16-18-8-12-21(13-9-18)31(34)35/h3-16H,2H2,1H3,(H,29,32)/b24-16+,27-23+InChIKey
FKOXKMFHUQTUJI-SVOCCOSCSA-NSynonyms
(2E)2CYANON(4ETHOXYPHENYL)2((5E)5((4NITROPHENYL)METHYLIDENE)4OXO3PHENYL13THIAZOLIDIN2YLIDENE)ACETAMIDE
(2E)2cyanoN(4ethoxyphenyl)2((5E)5(4nitrobenzylidene)4oxo3phenyl13thiazolidin2ylidene)ethanamide
(E)2cyanoN(4ethoxyphenyl)2((E)5(4nitrobenzylidene)4oxo3phenylthiazolidin2ylidene)acetamide
714284409
CCOC1=CC=C(C=C1)NC(=O)C(=C2N(C(=O)C(=CC3=CC=C(C=C3)(N+)(=O)(O))S2)C4=CC=CC=C4)C#N
CCOc1ccc(cc1)NC(=O)C(=c1sc(=Cc2ccc(cc2)(N+)(=O)(O))c(=O)n1c1ccccc1)C#N
InChI=1SC27H20N4O5Sc123622141019(111522)2925(32)23(1728)2730(206435720)26(33)24(3727)161881221(13918)31(34)35h316H2H21H3(H2932)b2416+2723+
MFCD05692474
ZINC000009287550
ZINC09287550
ZINC9287550
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