Vitas-M small molecule compound
prop-2-en-1-yl 2-[(3E)-3-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-4,5-dioxo-2-phenylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL048992
SMILES C=CCOC(=O)c1sc(nc1C)N1C(c2ccccc2)/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 C33H28N2O6S MW 580.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N2O6S/c1-4-17-40-32(39)30-21(3)34-33(42-30)35-27(23-13-9-6-10-14-23)26(29(37)31(35)38)28(36)24-15-16-25(20(2)18-24)41-19-22-11-7-5-8-12-22/h4-16,18,27,36H,1,17,19H2,2-3H3/b28-26+InChIKey
GZSQLMIDJQQUCQ-BYCLXTJYSA-NSynonyms
C=CCOC(=O)c1sc(nc1C)N1C(c2ccccc2)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=CC=C4)O)OCC5=CC=CC=C5
InChI=1SC33H28N2O6Sc14174032(39)3021(3)3433(4230)3527(231396101423)26(29(37)31(35)38)28(36)24151625(20(2)1824)411922117581222h416182736H11719H223H3b2826+
MFCD05727872
prop2en1yl2((3E)3((4(benzyloxy)3methylphenyl)(hydroxy)methylidene)45dioxo2phenylpyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((4E)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)23DIOXO5PHENYLPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000101278474
ZINC000101278476
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