Vitas-M small molecule compound
ethyl 2-{5-hydroxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylate
Catalog ID
STL447282
SMILES CCOC(=O)c1csc(n1)N1N=C(CC1(O)C(F)(F)F)/C=C/c1ccc(cc1)OC
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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 C19H18F3N3O4S MW 441.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F3N3O4S/c1-3-29-16(26)15-11-30-17(23-15)25-18(27,19(20,21)22)10-13(24-25)7-4-12-5-8-14(28-2)9-6-12/h4-9,11,27H,3,10H2,1-2H3/b7-4+InChIKey
HRVVNVVFUDMUHY-QPJJXVBHSA-NSynonyms
CCOC(=O)C1=CSC(=N1)N2C(CC(=N2)C=CC3=CC=C(C=C3)OC)(C(F)(F)F)O
CCOC(=O)c1csc(n1)N1N=C(CC1(O)C(F)(F)F)C=Cc1ccc(cc1)OC
ethyl2(5hydroxy3((E)2(4methoxyphenyl)ethenyl)5(trifluoromethyl)45dihydro1Hpyrazol1yl)13thiazole4carboxylate
ETHYL2(5HYDROXY3((E)2(4METHOXYPHENYL)ETHENYL)5(TRIFLUOROMETHYL)4HPYRAZOL1YL)13THIAZOLE4CARBOXYLATE
InChI=1SC19H18F3N3O4Sc132916(26)15113017(2315)2518(2719(2021)22)1013(2425)74125814(282)9612h491127H310H212H3b74+
MFCD06241945
ZINC000001415775
ZINC000001415777
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