Vitas-M small molecule compound
methyl 2-[(3E)-3-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-2-(4-tert-butylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL056726
SMILES COC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(C)(C)C)/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 C35H34N2O6S MW 610.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34N2O6S/c1-20-18-24(14-17-26(20)43-19-22-10-8-7-9-11-22)29(38)27-28(23-12-15-25(16-13-23)35(3,4)5)37(32(40)30(27)39)34-36-21(2)31(44-34)33(41)42-6/h7-18,28,38H,19H2,1-6H3/b29-27+InChIKey
BZQKCDGEJVZXGW-ORIPQNMZSA-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)C(C)(C)C)O)OCC5=CC=CC=C5
COC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(C)(C)C)C(=C(c2ccc(c(c2)C)OCc2ccccc2)O)C(=O)C1=O
InChI=1SC35H34N2O6Sc1201824(141726(20)431922108791122)29(38)2728(23121525(161323)35(34)5)37(32(40)30(27)39)343621(2)31(4434)33(41)426h7182838H19H216H3b2927+
METHYL2((3E)2(4TERTBUTYLPHENYL)3(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
methyl2((3E)3((4(benzyloxy)3methylphenyl)(hydroxy)methylidene)2(4tertbutylphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD05728293
ZINC000102896339
ZINC000102896342
Check stock
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Check stock on Vitas-MAvailable files
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