Vitas-M small molecule compound
(2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate
Catalog ID
STK568538
SMILES [O-]C(=O)/C(=C\c1ccc(o1)c1cccc(c1)C(F)(F)F)/Sc1[nH]nc([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-RIYZIHGNSA-NSynonyms
575466-16-9(2E)2((3methyl1H124triazol4ium5yl)sulfanyl)3(5(3(trifluoromethyl)phenyl)furan2yl)prop2enoate
(E)2((5METHYL1H124TRIAZOL3YL)SULFANYL)3(5(3(TRIFLUOROMETHYL)PHENYL)FURAN2YL)PROP2ENOICACID
(O)C(=O)C(=Cc1ccc(o1)c1cccc(c1)C(F)(F)F)Sc1(nH)nc((nH+)1)C
575466169
CC1=NC(=NN1)SC(=CC2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O
InChI=1SC17H12F3N3O3Sc192116(23229)2714(15(24)25)8125613(2612)1032411(710)17(1819)20h28H1H3(H2425)(H212223)b148+
MFCD05732038
ZINC000005721343
ZINC5721343
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