Vitas-M small molecule compound
4-bromo-2-{6-[(4-butylphenyl)amino]-10-methyl-8-phenyl-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}phenol
Catalog ID
STK552839
SMILES CCCCc1ccc(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 C35H31BrN6O MW 631.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H31BrN6O/c1-3-4-10-23-15-18-25(19-16-23)37-33-35-39-34-31(22(2)40-42(34)26-11-6-5-7-12-26)32(27-21-24(36)17-20-30(27)43)41(35)29-14-9-8-13-28(29)38-33/h5-9,11-21,32,43H,3-4,10H2,1-2H3,(H,37,38)InChIKey
PVYJFICRGCBCIP-UHFFFAOYSA-NSynonyms
4bromo2(6((4butylphenyl)amino)10methyl8phenyl811dihydropyrazolo(3445)pyrimido(12a)quinoxalin11yl)phenol
CCCCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NC5=C(C4C6=C(C=CC(=C6)Br)O)C(=NN5C7=CC=CC=C7)C
InChI=1SC35H31BrN6Oc1341023151825(191623)373335393431(22(2)4042(34)26116571226)32(272124(36)172030(27)43)41(35)2914981328(29)3833h5911213243H3410H212H3(H3738)
MFCD03690916
ZINC000150437060
ZINC000150437067
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