Vitas-M small molecule compound
7-(difluoromethyl)-N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Catalog ID
STL398249
SMILES Cc1ccc(cc1)c1cc(C(F)F)n2c(n1)c(cn2)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 C30H23F2N5O4 MW 555.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23F2N5O4/c1-17-5-7-19(8-6-17)26-15-27(28(31)32)36-29(35-26)25(16-33-36)30(38)34-21-12-22(37(39)40)14-24(13-21)41-23-10-9-18-3-2-4-20(18)11-23/h5-16,28H,2-4H2,1H3,(H,34,38)InChIKey
LMWWSPCXAZXLEV-UHFFFAOYSA-NSynonyms
445245-16-9445245169
7(DIFLUOROMETHYL)N(3(23DIHYDRO1HINDEN5YLOXY)5NITROPHENYL)5(4METHYLPHENYL)PYRAZOLO(15A)PYRIMIDINE3CARBOXAMIDE
CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=CC(=CC(=C4)OC5=CC6=C(CCC6)C=C5)(N+)(=O)(O)
Cc1ccc(cc1)c1cc(C(F)F)n2c(n1)c(cn2)C(=O)Nc1cc(Oc2ccc3c(c2)CCC3)cc(c1)(N+)(=O)(O)
InChI=1SC30H23F2N5O4c1175719(8617)261527(28(31)32)3629(3526)25(163336)30(38)34211222(37(39)40)1424(1321)41231091832420(18)1123h51628H24H21H3(H3438)
MFCD02374066
ZINC000002110272
ZINC02110272
ZINC2110272
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