Vitas-M small molecule compound
1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-2-(4-nitrophenyl)ethanone
Catalog ID
STK794755
SMILES O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)Cc1ccc(cc1)[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 C17H18F3N3O4 MW 385.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18F3N3O4/c18-17(19,20)16(25)13-4-2-1-3-5-14(13)21-22(16)15(24)10-11-6-8-12(9-7-11)23(26)27/h6-9,13,25H,1-5,10H2InChIKey
QYZFHWDKCCIZQU-UHFFFAOYSA-NSynonyms
1(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2(3H)yl)2(4nitrophenyl)ethanone
1(3hydroxy3(trifluoromethyl)3a45678hexahydrocyclohepta(c)pyrazol2yl)2(4nitrophenyl)ethanone
C1CCC2C(=NN(C2(C(F)(F)F)O)C(=O)CC3=CC=C(C=C3)(N+)(=O)(O))CC1
InChI=1SC17H18F3N3O4c1817(1920)16(25)134213514(13)2122(16)15(24)10116812(9711)23(26)27h691325H1510H2
MFCD01571803
O=C(N1N=C2C(C1(O)C(F)(F)F)CCCCC2)Cc1ccc(cc1)(N+)(=O)(O)
ZINC000000845877
ZINC000000845880
Check stock
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