Vitas-M small molecule compound
[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl](3-nitrophenyl)methanone
Catalog ID
STK877329
SMILES O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)c1cccc(c1)[N+](=O)[O-]
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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 C16H16F3N3O4 MW 371.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16F3N3O4/c17-16(18,19)15(24)12-7-2-1-3-8-13(12)20-21(15)14(23)10-5-4-6-11(9-10)22(25)26/h4-6,9,12,24H,1-3,7-8H2InChIKey
JSVUKUKHVYXTDW-UHFFFAOYSA-NSynonyms
(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2(3H)yl)(3nitrophenyl)methanone
(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2yl)(3nitrophenyl)methanone
C1CCC2C(=NN(C2(C(F)(F)F)O)C(=O)C3=CC(=CC=C3)(N+)(=O)(O))CC1
InChI=1SC16H16F3N3O4c1716(1819)15(24)127213813(12)2021(15)14(23)1054611(910)22(25)26h4691224H1378H2
MFCD01305701
O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)c1cccc(c1)(N+)(=O)(O)
ZINC000004565011
ZINC000004565014
Check stock
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Check stock on Vitas-MAvailable files
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