Vitas-M small molecule compound
methyl 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
STL056058
SMILES COC(=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 C31H25N3O8S MW 599.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N3O8S/c1-17-15-21(11-14-23(17)42-16-19-7-5-4-6-8-19)26(35)24-25(20-9-12-22(13-10-20)34(39)40)33(29(37)27(24)36)31-32-18(2)28(43-31)30(38)41-3/h4-15,25,35H,16H2,1-3H3/b26-24+InChIKey
DYFAJRPVZQVTIN-SHHOIMCASA-NSynonyms
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=C(C=C4)(N+)(=O)(O))O)OCC5=CC=CC=C5
COC(=O)c1sc(nc1C)N1C(c2ccc(cc2)(N+)(=O)(O))C(=C(c2ccc(c(c2)C)OCc2ccccc2)O)C(=O)C1=O
InChI=1SC31H25N3O8Sc1171521(111423(17)4216197546819)26(35)2425(2091222(131020)34(39)40)33(29(37)27(24)36)313218(2)28(4331)30(38)413h4152535H16H213H3b2624+
methyl2((3E)3((4(benzyloxy)3methylphenyl)(hydroxy)methylidene)2(4nitrophenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((3E)3(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)2(4NITROPHENYL)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD05738192
ZINC000102894939
ZINC000102894940
Check stock
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Check stock on Vitas-MAvailable files
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