Vitas-M small molecule compound
[(7E)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]{5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl}methanone
Catalog ID
STL403627
SMILES CC(c1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)N1N=C2C(C1c1ccc(cc1)[N+](=O)[O-])CCC/C/2=C\c1ccc(cc1)[N+](=O)[O-])C
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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 C37H30F3N7O5 MW 709.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H30F3N7O5/c1-21(2)23-8-10-24(11-9-23)30-19-32(37(38,39)40)44-33(41-30)20-31(42-44)36(48)45-35(25-12-16-28(17-13-25)47(51)52)29-5-3-4-26(34(29)43-45)18-22-6-14-27(15-7-22)46(49)50/h6-21,29,35H,3-5H2,1-2H3/b26-18+InChIKey
VALAPNAAWFXJFH-NLRVBDNBSA-NSynonyms
512814-73-2((7E)3(4NITROPHENYL)7((4NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(5(4PROPAN2YLPHENYL)7(TRIFLUOROMETHYL)PYRAZOLO(15A)PYRIMIDIN2YL)METHANONE
((7E)7(4nitrobenzylidene)3(4nitrophenyl)33a4567hexahydro2Hindazol2yl)(5(4(propan2yl)phenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)methanone
512814732
CC(C)C1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4C(C5CCCC(=CC6=CC=C(C=C6)(N+)(=O)(O))C5=N4)C7=CC=C(C=C7)(N+)(=O)(O)
CC(c1ccc(cc1)c1nc2cc(nn2c(c1)C(F)(F)F)C(=O)N1N=C2C(C1c1ccc(cc1)(N+)(=O)(O))CCCC2=Cc1ccc(cc1)(N+)(=O)(O))C
InChI=1SC37H30F3N7O5c121(2)2381024(11923)301932(37(3839)40)4433(4130)2031(4244)36(48)4535(25121628(171325)47(51)52)2953426(34(29)4345)182261427(15722)46(49)50h6212935H35H212H3b2618+
MFCD03466958
ZINC000008455616
ZINC000008455619
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