Vitas-M small molecule compound
methyl 2-[(3E)-3-[hydroxy(4-propoxyphenyl)methylidene]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL047426
SMILES CCCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C)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 C27H26N2O6S MW 506.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6S/c1-5-14-35-19-12-10-18(11-13-19)22(30)20-21(17-8-6-15(2)7-9-17)29(25(32)23(20)31)27-28-16(3)24(36-27)26(33)34-4/h6-13,21,30H,5,14H2,1-4H3/b22-20+InChIKey
KYDWHRVOYPUYNM-LSDHQDQOSA-NSynonyms
615274-44-7615274447
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC=C(C=C4)C)O
CCCOc1ccc(cc1)C(=C1C(c2ccc(cc2)C)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OC)O
InChI=1SC27H26N2O6Sc15143519121018(111319)22(30)2021(178615(2)7917)29(25(32)23(20)31)272816(3)24(3627)26(33)344h6132130H514H214H3b2220+
methyl2((3E)3(hydroxy(4propoxyphenyl)methylidene)2(4methylphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(3HYDROXY5(4METHYLPHENYL)2OXO4((4PROPOXYPHENYL)CARBONYL)(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD03804344
ZINC000102882574
ZINC000102882577
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