Vitas-M small molecule compound
methyl 2-[(3E)-3-[hydroxy(3-methoxyphenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL048254
SMILES COc1ccc(cc1)C1/C(=C(/c2cccc(c2)OC)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
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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 C25H22N2O7S MW 494.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O7S/c1-13-22(24(31)34-4)35-25(26-13)27-19(14-8-10-16(32-2)11-9-14)18(21(29)23(27)30)20(28)15-6-5-7-17(12-15)33-3/h5-12,19,28H,1-4H3/b20-18+InChIKey
MYSPPEIUCRCHSL-CZIZESTLSA-NSynonyms
609307-72-4609307724
CC1=C(SC(=N1)N2C(C(=C(C3=CC(=CC=C3)OC)O)C(=O)C2=O)C4=CC=C(C=C4)OC)C(=O)OC
COc1ccc(cc1)C1C(=C(c2cccc(c2)OC)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
InChI=1SC25H22N2O7Sc11322(24(31)344)3525(2613)2719(1481016(322)11914)18(21(29)23(27)30)20(28)1565717(1215)333h5121928H14H3b2018+
methyl2((3E)3(hydroxy(3methoxyphenyl)methylidene)2(4methoxyphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(3HYDROXY5(4METHOXYPHENYL)4((3METHOXYPHENYL)CARBONYL)2OXO(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD05734513
ZINC000102883896
ZINC000102883898
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