Vitas-M small molecule compound
methyl 4-{6-[(4-butylphenyl)amino]-10-methyl-8-(pyridin-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzoate
Catalog ID
STL406963
SMILES CCCCc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1c(C2c2ccc(cc2)C(=O)OC)c(nn1c1ccccn1)C
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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 C36H33N7O2 MW 595.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H33N7O2/c1-4-5-10-24-14-20-27(21-15-24)38-33-35-40-34-31(23(2)41-43(34)30-13-8-9-22-37-30)32(25-16-18-26(19-17-25)36(44)45-3)42(35)29-12-7-6-11-28(29)39-33/h6-9,11-22,32H,4-5,10H2,1-3H3,(H,38,39)InChIKey
XFQUCQPTQGBSGQ-UHFFFAOYSA-NSynonyms
CCCCC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=NC5=C(C4C6=CC=C(C=C6)C(=O)OC)C(=NN5C7=CC=CC=N7)C
InChI=1SC36H33N7O2c1451024142027(211524)383335403431(23(2)4143(34)301389223730)32(25161826(191725)36(44)453)42(35)2912761128(29)3933h69112232H4510H213H3(H3839)
methyl4(6((4butylphenyl)amino)10methyl8(pyridin2yl)811dihydropyrazolo(3445)pyrimido(12a)quinoxalin11yl)benzoate
MFCD03691584
ZINC000001858029
ZINC000006150086
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