Vitas-M small molecule compound
3-chloro-N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Catalog ID
STK676114
SMILES Fc1ccc(cc1)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 C29H18ClF4N5O4 MW 611.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H18ClF4N5O4/c30-25-26(37-38-24(29(32,33)34)14-23(36-27(25)38)16-4-7-18(31)8-5-16)28(40)35-19-11-20(39(41)42)13-22(12-19)43-21-9-6-15-2-1-3-17(15)10-21/h4-14H,1-3H2,(H,35,40)InChIKey
ABQOSJGJZIYKCL-UHFFFAOYSA-NSynonyms
3chloroN(3(23dihydro1Hinden5yloxy)5nitrophenyl)5(4fluorophenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidine2carboxamide
C1CC2=C(C1)C=C(C=C2)OC3=CC(=CC(=C3)(N+)(=O)(O))NC(=O)C4=NN5C(=CC(=NC5=C4Cl)C6=CC=C(C=C6)F)C(F)(F)F
Fc1ccc(cc1)c1nc2c(Cl)c(nn2c(c1)C(F)(F)F)C(=O)Nc1cc(Oc2ccc3c(c2)CCC3)cc(c1)(N+)(=O)(O)
InChI=1SC29H18ClF4N5O4c302526(373824(29(3233)34)1423(3627(25)38)164718(31)8516)28(40)35191120(39(41)42)1322(1219)4321961521317(15)1021h414H13H2(H3540)
MFCD01528984
ZINC000098000479
ZINC98000479
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