Vitas-M small molecule compound
[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl](pyridin-4-yl)methanone
Catalog ID
STK044571
SMILES O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)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 C15H16F3N3O2 MW 327.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16F3N3O2/c16-15(17,18)14(23)11-4-2-1-3-5-12(11)20-21(14)13(22)10-6-8-19-9-7-10/h6-9,11,23H,1-5H2InChIKey
HBARWKVUQFXPDM-UHFFFAOYSA-NSynonyms
(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2(3H)yl)(pyridin4yl)methanone
(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2yl)pyridin4ylmethanone
C1CCC2C(=NN(C2(C(F)(F)F)O)C(=O)C3=CC=NC=C3)CC1
InChI=1SC15H16F3N3O2c1615(1718)14(23)114213512(11)2021(14)13(22)1068199710h691123H15H2
MFCD01414997
O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)c1ccncc1
STK044571
ZINC000000052089
ZINC000000052092
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