Vitas-M small molecule compound

(2E)-2-cyano-N-(4-ethoxyphenyl)-2-[(5E)-5-(3-nitrobenzylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]ethanamide

Catalog ID
STL051908
SMILES CCOc1ccc(cc1)NC(=O)/C(=c\1/s/c(=C/c2cccc(c2)[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/c1-2-36-22-13-11-19(12-14-22)29-25(32)23(17-28)27-30(20-8-4-3-5-9-20)26(33)24(37-27)16-18-7-6-10-21(15-18)31(34)35/h3-16H,2H2,1H3,(H,29,32)/b24-16+,27-23+
InChIKey
JVWQJILINXQGMB-SVOCCOSCSA-N
Synonyms
713092-74-1
(2E)2CYANON(4ETHOXYPHENYL)2((5E)5((3NITROPHENYL)METHYLIDENE)4OXO3PHENYL13THIAZOLIDIN2YLIDENE)ACETAMIDE
(2E)2cyanoN(4ethoxyphenyl)2((5E)5(3nitrobenzylidene)4oxo3phenyl13thiazolidin2ylidene)ethanamide
(E)2cyanoN(4ethoxyphenyl)2((E)5(3nitrobenzylidene)4oxo3phenylthiazolidin2ylidene)acetamide
713092741
CCOC1=CC=C(C=C1)NC(=O)C(=C2N(C(=O)C(=CC3=CC(=CC=C3)(N+)(=O)(O))S2)C4=CC=CC=C4)C#N
CCOc1ccc(cc1)NC(=O)C(=c1sc(=Cc2cccc(c2)(N+)(=O)(O))c(=O)n1c1ccccc1)C#N
InChI=1SC27H20N4O5Sc123622131119(121422)2925(32)23(1728)2730(208435920)26(33)24(3727)1618761021(1518)31(34)35h316H2H21H3(H2932)b2416+2723+
MFCD05689746
ZINC000009286830
ZINC09286830
ZINC9286830

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Available files

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