Vitas-M small molecule compound
ethyl 2-{(3E)-2-(4-fluorophenyl)-3-[hydroxy(4-propoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL037503
SMILES CCCOc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)F)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OCC)/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 C27H25FN2O6S MW 524.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25FN2O6S/c1-4-14-36-19-12-8-17(9-13-19)22(31)20-21(16-6-10-18(28)11-7-16)30(25(33)23(20)32)27-29-15(3)24(37-27)26(34)35-5-2/h6-13,21,31H,4-5,14H2,1-3H3/b22-20+InChIKey
NZKNQAABLQTMOG-LSDHQDQOSA-NSynonyms
638133-79-6638133796
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC)C)C4=CC=C(C=C4)F)O
CCCOc1ccc(cc1)C(=C1C(c2ccc(cc2)F)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OCC)O
ethyl2((3E)2(4fluorophenyl)3(hydroxy(4propoxyphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2(5(4FLUOROPHENYL)3HYDROXY2OXO4((4PROPOXYPHENYL)CARBONYL)(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC27H25FN2O6Sc1414361912817(91319)22(31)2021(1661018(28)11716)30(25(33)23(20)32)272915(3)24(3727)26(34)3552h6132131H4514H213H3b2220+
MFCD03806624
ZINC000102858548
ZINC000102858550
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