Vitas-M small molecule compound
prop-2-en-1-yl 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
STL053739
SMILES C=CCOC(=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 C37H36N2O6S MW 636.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H36N2O6S/c1-7-19-44-35(43)33-23(3)38-36(46-33)39-30(25-13-16-27(17-14-25)37(4,5)6)29(32(41)34(39)42)31(40)26-15-18-28(22(2)20-26)45-21-24-11-9-8-10-12-24/h7-18,20,30,40H,1,19,21H2,2-6H3/b31-29+InChIKey
PLCQYOAYRFJKNB-OWWNRXNESA-NSynonyms
C=CCOC(=O)c1sc(nc1C)N1C(c2ccc(cc2)C(C)(C)C)C(=C(c2ccc(c(c2)C)OCc2ccccc2)O)C(=O)C1=O
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC=C)C)C4=CC=C(C=C4)C(C)(C)C)O)OCC5=CC=CC=C5
InChI=1SC37H36N2O6Sc17194435(43)3323(3)3836(4633)3930(25131627(171425)37(45)6)29(32(41)34(39)42)31(40)26151828(22(2)2026)4521241198101224h718203040H11921H226H3b3129+
MFCD05728511
prop2en1yl2((3E)3((4(benzyloxy)3methylphenyl)(hydroxy)methylidene)2(4tertbutylphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((3E)2(4TERTBUTYLPHENYL)3(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000150463725
ZINC000150463727
Check stock
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Check stock on Vitas-MAvailable files
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