Vitas-M small molecule compound
(2Z)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoic acid
Catalog ID
STL505128
SMILES OC(=O)/C(=C/c1ccc(o1)c1cccc(c1)C(F)(F)F)/Sc1nnc([nH]1)C
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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 C17H12F3N3O3S MW 395.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12F3N3O3S/c1-9-21-16(23-22-9)27-14(15(24)25)8-12-5-6-13(26-12)10-3-2-4-11(7-10)17(18,19)20/h2-8H,1H3,(H,24,25)(H,21,22,23)/b14-8-InChIKey
QDCJDXWCIDDXLY-ZSOIEALJSA-NSynonyms
(~(Z))2((5methyl1~(H)124triazol3yl)sulfanyl)3(5(3(trifluoromethyl)phenyl)furan2yl)prop2enoicacid
(2Z)2((5methyl4H124triazol3yl)sulfanyl)3(5(3(trifluoromethyl)phenyl)furan2yl)prop2enoicacid
(E)2((5methyl4H124triazol3yl)thio)3(5(3(trifluoromethyl)phenyl)furan2yl)acrylicacid
1626094
InChI=1SC17H12F3N3O3Sc192116(23229)2714(15(24)25)8125613(2612)1032411(710)17(1819)20h28H1H3(H2425)(H212223)b148
MFCD04535655
OC(=O)C(=Cc1ccc(o1)c1cccc(c1)C(F)(F)F)Sc1nnc((nH)1)C
ZINC000006588312
ZINC6588312
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