Vitas-M small molecule compound
2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Catalog ID
STK357388
SMILES FC(c1[nH]c(=O)n(n1)C12CC3CC(C2)CC(C1)C3)(F)F
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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 C13H16F3N3O MW 287.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16F3N3O/c14-13(15,16)10-17-11(20)19(18-10)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H,17,18,20)InChIKey
HEKAUJZQFHCZLA-UHFFFAOYSA-NSynonyms
2(1adamantyl)5(trifluoromethyl)1H124triazol3one
2(tricyclo(3311~37~)dec1yl)5(trifluoromethyl)24dihydro3H124triazol3one
C1C2CC3CC1CC(C2)(C3)N4C(=O)N=C(N4)C(F)(F)F
FC(c1(nH)c(=O)n(n1)C12CC3CC(C2)CC(C1)C3)(F)F
InChI=1SC13H16F3N3Oc1413(1516)101711(20)19(1810)124718(512)39(27)612h79H16H2(H171820)
MFCD09426389
ZINC000009142789
ZINC9142789
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