Vitas-M small molecule compound
3-chloro-N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Catalog ID
STK676126
SMILES COc1ccc(cc1OC)c1nc2c(Cl)c(nn2c(c1)C(F)(F)F)C(=O)Nc1cc(Oc2ccc3c(c2)CCC3)cc(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 C31H23ClF3N5O6 MW 654.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H23ClF3N5O6/c1-44-24-9-7-18(11-25(24)45-2)23-15-26(31(33,34)35)39-29(37-23)27(32)28(38-39)30(41)36-19-12-20(40(42)43)14-22(13-19)46-21-8-6-16-4-3-5-17(16)10-21/h6-15H,3-5H2,1-2H3,(H,36,41)InChIKey
YVCQTSQITOSXFA-UHFFFAOYSA-NSynonyms
3chloroN(3(23dihydro1Hinden5yloxy)5nitrophenyl)5(34dimethoxyphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamide
COC1=C(C=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NC4=CC(=CC(=C4)OC5=CC6=C(CCC6)C=C5)(N+)(=O)(O))Cl)OC
InChI=1SC31H23ClF3N5O6c144249718(1125(24)452)231526(31(3334)35)3929(3723)27(32)28(3839)30(41)36191220(40(42)43)1422(1319)4621861643517(16)1021h615H35H212H3(H3641)
MFCD01529280
ZINC000150368395
ZINC150368395
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