Vitas-M small molecule compound
4-[10-methyl-8-(pyridin-2-yl)-6-{[3-(trifluoromethyl)phenyl]amino}-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl]benzene-1,2-diol
Catalog ID
STL048510
SMILES Cc1nn(c2c1C(c1ccc(c(c1)O)O)n1c(=N2)c(Nc2cccc(c2)C(F)(F)F)nc2c1cccc2)c1ccccn1
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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 C31H22F3N7O2 MW 581.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H22F3N7O2/c1-17-26-27(18-12-13-23(42)24(43)15-18)40-22-10-3-2-9-21(22)37-28(36-20-8-6-7-19(16-20)31(32,33)34)30(40)38-29(26)41(39-17)25-11-4-5-14-35-25/h2-16,27,42-43H,1H3,(H,36,37)InChIKey
KBKGPWRAKJNUFH-UHFFFAOYSA-NSynonyms
4(10methyl8(pyridin2yl)6((3(trifluoromethyl)phenyl)amino)811dihydropyrazolo(3445)pyrimido(12a)quinoxalin11yl)benzene12diol
CC1=NN(C2=C1C(N3C4=CC=CC=C4N=C(C3=N2)NC5=CC=CC(=C5)C(F)(F)F)C6=CC(=C(C=C6)O)O)C7=CC=CC=N7
InChI=1SC31H22F3N7O2c1172627(18121323(42)24(43)1518)40221032921(22)3728(362086719(1620)31(3233)34)30(40)3829(26)41(3917)251145143525h216274243H1H3(H3637)
MFCD03685177
ZINC000001896673
ZINC000053338165
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