Vitas-M small molecule compound
3-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[4-(trifluoromethyl)phenyl]propanamide
Catalog ID
STL287576
SMILES O=C(Nc1ccc(cc1)C(F)(F)F)CCc1onc(n1)CSc1nc2c([nH]1)cccc2
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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 C20H16F3N5O2S MW 447.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3N5O2S/c21-20(22,23)12-5-7-13(8-6-12)24-17(29)9-10-18-27-16(28-30-18)11-31-19-25-14-3-1-2-4-15(14)26-19/h1-8H,9-11H2,(H,24,29)(H,25,26)InChIKey
MZJCYTHONZFJKF-UHFFFAOYSA-NSynonyms
3(3((1Hbenzimidazol2ylsulfanyl)methyl)124oxadiazol5yl)N(4(trifluoromethyl)phenyl)propanamide
3(3(1Hbenzimidazol2ylsulfanylmethyl)124oxadiazol5yl)N(4(trifluoromethyl)phenyl)propanamide
C1=CC=C2C(=C1)NC(=N2)SCC3=NOC(=N3)CCC(=O)NC4=CC=C(C=C4)C(F)(F)F
InChI=1SC20H16F3N5O2Sc2120(2223)125713(8612)2417(29)910182716(283018)1131192514312415(14)2619h18H911H2(H2429)(H2526)
MFCD15078548
O=C(Nc1ccc(cc1)C(F)(F)F)CCc1onc(n1)CSc1nc2c((nH)1)cccc2
ZINC000033087458
ZINC33087458
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