Vitas-M small molecule compound
methyl 2-[(3E)-3-[hydroxy(3-methoxyphenyl)methylidene]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK613396
SMILES COc1cccc(c1)/C(=C\1/C(c2cccs2)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)/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 C22H18N2O6S2 MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O6S2/c1-11-19(21(28)30-3)32-22(23-11)24-16(14-8-5-9-31-14)15(18(26)20(24)27)17(25)12-6-4-7-13(10-12)29-2/h4-10,16,25H,1-3H3/b17-15+InChIKey
PIOMNIQRFXRHOI-BMRADRMJSA-NSynonyms
608510-10-7608510107
CC1=C(SC(=N1)N2C(C(=C(C3=CC(=CC=C3)OC)O)C(=O)C2=O)C4=CC=CS4)C(=O)OC
COc1cccc(c1)C(=C1C(c2cccs2)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)O
InChI=1SC22H18N2O6S2c11119(21(28)303)3222(2311)2416(148593114)15(18(26)20(24)27)17(25)1264713(1012)292h4101625H13H3b1715+
methyl2((3E)3(hydroxy(3methoxyphenyl)methylidene)45dioxo2(thiophen2yl)pyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((4E)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)23DIOXO5THIOPHEN2YLPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
METHYL2(3HYDROXY4((3METHOXYPHENYL)CARBONYL)2OXO5(2THIENYL)(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD08735026
ZINC000102711560
ZINC000102711563
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Check stock on Vitas-MAvailable files
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