Vitas-M small molecule compound
ethyl 4-{[11-(5-bromo-2-hydroxyphenyl)-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-6-yl]amino}benzoate
Catalog ID
STL407268
SMILES CCOC(=O)c1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1cc(Br)ccc1O)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 C34H27BrN6O3 MW 647.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27BrN6O3/c1-3-44-34(43)21-13-16-23(17-14-21)36-31-33-38-32-29(20(2)39-41(32)24-9-5-4-6-10-24)30(25-19-22(35)15-18-28(25)42)40(33)27-12-8-7-11-26(27)37-31/h4-19,30,42H,3H2,1-2H3,(H,36,37)InChIKey
YWZTVNUOAAKHHB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NC5=C(C4C6=C(C=CC(=C6)Br)O)C(=NN5C7=CC=CC=C7)C
ethyl4((11(5bromo2hydroxyphenyl)10methyl8phenyl811dihydropyrazolo(3445)pyrimido(12a)quinoxalin6yl)amino)benzoate
InChI=1SC34H27BrN6O3c134434(43)21131623(171421)363133383229(20(2)3941(32)2495461024)30(251922(35)151828(25)42)40(33)2712871126(27)3731h4193042H3H212H3(H3637)
MFCD03675795
ZINC000150508986
ZINC000150508990
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