Vitas-M small molecule compound
4-{6-[(4-chlorophenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}-2-ethoxyphenol
Catalog ID
STL057345
SMILES CCOc1cc(ccc1O)C1c2c(C)nn(c2N=c2n1c1ccccc1nc2Nc1ccc(cc1)Cl)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 C33H27ClN6O2 MW 575.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27ClN6O2/c1-3-42-28-19-21(13-18-27(28)41)30-29-20(2)38-40(24-9-5-4-6-10-24)32(29)37-33-31(35-23-16-14-22(34)15-17-23)36-25-11-7-8-12-26(25)39(30)33/h4-19,30,41H,3H2,1-2H3,(H,35,36)InChIKey
QBEAAYRGQOEZAJ-UHFFFAOYSA-NSynonyms
4(6((4chlorophenyl)amino)10methyl8phenyl811dihydropyrazolo(3445)pyrimido(12a)quinoxalin11yl)2ethoxyphenol
CCOC1=C(C=CC(=C1)C2C3=C(N=C4N2C5=CC=CC=C5N=C4NC6=CC=C(C=C6)Cl)N(N=C3C)C7=CC=CC=C7)O
InChI=1SC33H27ClN6O2c1342281921(131827(28)41)302920(2)3840(2495461024)32(29)373331(3523161422(34)151723)362511781226(25)39(30)33h4193041H3H212H3(H3536)
MFCD03687931
ZINC000001897344
ZINC000001897345
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