Vitas-M small molecule compound
methyl 4-{6-[(4-ethylphenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzoate
Catalog ID
STL032832
SMILES CCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(=O)OC)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 C35H30N6O2 MW 566.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N6O2/c1-4-23-14-20-26(21-15-23)36-32-34-38-33-30(22(2)39-41(33)27-10-6-5-7-11-27)31(24-16-18-25(19-17-24)35(42)43-3)40(34)29-13-9-8-12-28(29)37-32/h5-21,31H,4H2,1-3H3,(H,36,37)InChIKey
QHTNEVLTCUKEKY-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NC5=C(C4C6=CC=C(C=C6)C(=O)OC)C(=NN5C7=CC=CC=C7)C
InChI=1SC35H30N6O2c1423142026(211523)363234383330(22(2)3941(33)27106571127)31(24161825(191724)35(42)433)40(34)2913981228(29)3732h52131H4H213H3(H3637)
methyl4(6((4ethylphenyl)amino)10methyl8phenyl811dihydropyrazolo(3445)pyrimido(12a)quinoxalin11yl)benzoate
MFCD03690713
ZINC000001873016
ZINC000001873019
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