Vitas-M small molecule compound
3-{[11-(4-tert-butylphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}benzoic acid
Catalog ID
STL050205
SMILES OC(=O)c1cccc(c1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(cc1)C(C)(C)C)C)c1ccccc1
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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 C36H32N6O2 MW 580.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32N6O2/c1-22-30-31(23-17-19-25(20-18-23)36(2,3)4)41-29-16-9-8-15-28(29)38-32(37-26-12-10-11-24(21-26)35(43)44)34(41)39-33(30)42(40-22)27-13-6-5-7-14-27/h5-21,31H,1-4H3,(H,37,38)(H,43,44)InChIKey
GJVDMNZJYOGEIC-UHFFFAOYSA-NSynonyms
3((11(4(tertbutyl)phenyl)10methyl8phenyl811dihydropyrazolo(3445)pyrimido(12a)quinoxalin6yl)amino)benzoicacid
3((11(4tertbutylphenyl)10methyl8phenyl811dihydropyrazolo(3445)pyrimido(12a)quinoxalin6yl)amino)benzoicacid
CC1=NN(C2=C1C(N3C4=CC=CC=C4N=C(C3=N2)NC5=CC=CC(=C5)C(=O)O)C6=CC=C(C=C6)C(C)(C)C)C7=CC=CC=C7
InChI=1SC36H32N6O2c1223031(23171925(201823)36(23)4)412916981528(29)3832(372612101124(2126)35(43)44)34(41)3933(30)42(4022)27136571427h52131H14H3(H3738)(H4344)
MFCD03677303
ZINC000001884923
ZINC000001884925
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