Vitas-M small molecule compound
ethyl 2-[(3E)-3-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK569934
SMILES CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)[N+](=O)[O-])/C(=C(/c2ccc(c(c2)C)OCc2ccccc2)\O)/C(=O)C1=O
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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 C32H27N3O8S MW 613.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27N3O8S/c1-4-42-31(39)29-19(3)33-32(44-29)34-26(21-10-13-23(14-11-21)35(40)41)25(28(37)30(34)38)27(36)22-12-15-24(18(2)16-22)43-17-20-8-6-5-7-9-20/h5-16,26,36H,4,17H2,1-3H3/b27-25+InChIKey
NGMVHKOWQNYCSI-IMVLJIQESA-NSynonyms
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)C)O)C(=O)C2=O)C5=CC=C(C=C5)(N+)(=O)(O))C
CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)(N+)(=O)(O))C(=C(c2ccc(c(c2)C)OCc2ccccc2)O)C(=O)C1=O
ethyl2((3E)3((4(benzyloxy)3methylphenyl)(hydroxy)methylidene)2(4nitrophenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((3E)3(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)2(4NITROPHENYL)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC32H27N3O8Sc144231(39)2919(3)3332(4429)3426(21101323(141121)35(40)41)25(28(37)30(34)38)27(36)22121524(18(2)1622)4317208657920h5162636H417H213H3b2725+
MFCD05730737
ZINC000102559728
ZINC000102559738
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.