Vitas-M small molecule compound
[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7,8,9-octahydro-2H-cycloocta[c]pyrazol-2-yl](pyridin-4-yl)methanone
Catalog ID
STK094122
SMILES O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCCC2)c1ccncc1
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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 C16H18F3N3O2 MW 341.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18F3N3O2/c17-16(18,19)15(24)12-5-3-1-2-4-6-13(12)21-22(15)14(23)11-7-9-20-10-8-11/h7-10,12,24H,1-6H2InChIKey
VBBKZCPPGKMIGZ-UHFFFAOYSA-NSynonyms
(3hydroxy3(trifluoromethyl)33a456789octahydro2Hcycloocta(c)pyrazol2yl)(pyridin4yl)methanone
(3hydroxy3(trifluoromethyl)456789hexahydro3aHcycloocta(c)pyrazol2yl)pyridin4ylmethanone
C1CCCC2=NN(C(C2CC1)(C(F)(F)F)O)C(=O)C3=CC=NC=C3
InChI=1SC16H18F3N3O2c1716(1819)15(24)1253124613(12)2122(15)14(23)11792010811h7101224H16H2
MFCD08672899
O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCCC2)c1ccncc1
STK094122
ZINC000004675583
ZINC000004675588
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