Vitas-M small molecule compound
methyl 2-{(3E)-2-(4-fluorophenyl)-3-[hydroxy(4-propoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK559298
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)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 C26H23FN2O6S MW 510.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN2O6S/c1-4-13-35-18-11-7-16(8-12-18)21(30)19-20(15-5-9-17(27)10-6-15)29(24(32)22(19)31)26-28-14(2)23(36-26)25(33)34-3/h5-12,20,30H,4,13H2,1-3H3/b21-19+InChIKey
IRUIXPPCXIAMGZ-XUTLUUPISA-NSynonyms
615274-42-5615274425
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)F)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)c1nc(c(s1)C(=O)OC)C)O
InChI=1SC26H23FN2O6Sc1413351811716(81218)21(30)1920(155917(27)10615)29(24(32)22(19)31)262814(2)23(3626)25(33)343h5122030H413H213H3b2119+
methyl2((3E)2(4fluorophenyl)3(hydroxy(4propoxyphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2(5(4FLUOROPHENYL)3HYDROXY2OXO4((4PROPOXYPHENYL)CARBONYL)(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
MFCD03816500
ZINC000102485880
ZINC000102485891
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