Vitas-M small molecule compound
methyl 2-[(3E)-3-[hydroxy(4-propoxyphenyl)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL047692
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)OC)c1nc(c(s1)C(=O)OC)C)/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 C27H26N2O7S MW 522.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O7S/c1-5-14-36-19-12-8-17(9-13-19)22(30)20-21(16-6-10-18(34-3)11-7-16)29(25(32)23(20)31)27-28-15(2)24(37-27)26(33)35-4/h6-13,21,30H,5,14H2,1-4H3/b22-20+InChIKey
DHDCLJPNEYSYSR-LSDHQDQOSA-NSynonyms
615274-46-9615274469
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)OC)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)OC)c1nc(c(s1)C(=O)OC)C)O
InChI=1SC27H26N2O7Sc1514361912817(91319)22(30)2021(1661018(343)11716)29(25(32)23(20)31)272815(2)24(3727)26(33)354h6132130H514H214H3b2220+
methyl2((3E)3(hydroxy(4propoxyphenyl)methylidene)2(4methoxyphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(3HYDROXY5(4METHOXYPHENYL)2OXO4((4PROPOXYPHENYL)CARBONYL)(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD03795883
ZINC000102882937
ZINC000102882939
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