Vitas-M small molecule compound
ethyl 4-{[10-methyl-11-(3-nitrophenyl)-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}benzoate
Catalog ID
STK545488
SMILES CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)[N+](=O)[O-])c(nn1c1ccccc1)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 C34H27N7O4 MW 597.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27N7O4/c1-3-45-34(42)22-16-18-24(19-17-22)35-31-33-37-32-29(21(2)38-40(32)25-11-5-4-6-12-25)30(23-10-9-13-26(20-23)41(43)44)39(33)28-15-8-7-14-27(28)36-31/h4-20,30H,3H2,1-2H3,(H,35,36)InChIKey
HPOLSJRQBNAUEG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NC5=C(C4C6=CC(=CC=C6)(N+)(=O)(O))C(=NN5C7=CC=CC=C7)C
CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2cccc(c2)(N+)(=O)(O))c(nn1c1ccccc1)C
ethyl4((10methyl11(3nitrophenyl)8phenyl811dihydropyrazolo(3445)pyrimido(12a)quinoxalin6yl)amino)benzoate
InChI=1SC34H27N7O4c134534(42)22161824(191722)353133373229(21(2)3840(32)25115461225)30(231091326(2023)41(43)44)39(33)2815871427(28)3631h42030H3H212H3(H3536)
MFCD03296717
ZINC000001838679
ZINC000001838680
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