Vitas-M small molecule compound
methyl 2-[(3E)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK856633
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(cc2)C)/O)/C1c1cccs1
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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 C22H18N2O5S2 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O5S2/c1-11-6-8-13(9-7-11)17(25)15-16(14-5-4-10-30-14)24(20(27)18(15)26)22-23-12(2)19(31-22)21(28)29-3/h4-10,16,25H,1-3H3/b17-15+InChIKey
NNCBEVZEOAFYPO-BMRADRMJSA-NSynonyms
371923-58-9371923589
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=CS4)O
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(cc2)C)O)C1c1cccs1
InChI=1SC22H18N2O5S2c1116813(9711)17(25)1516(1454103014)24(20(27)18(15)26)222312(2)19(3122)21(28)293h4101625H13H3b1715+
methyl2((3E)3(hydroxy(4methylphenyl)methylidene)45dioxo2(thiophen2yl)pyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((4E)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)23DIOXO5THIOPHEN2YLPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
METHYL2(3HYDROXY4((4METHYLPHENYL)CARBONYL)2OXO5(2THIENYL)(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD09788899
ZINC000102805229
ZINC000102805235
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