Vitas-M small molecule compound
methyl 4-{6-[(4-ethoxyphenyl)amino]-10-methyl-8-(pyridin-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzoate
Catalog ID
STL032846
SMILES CCOc1ccc(cc1)Nc1nc2ccccc2n2c1=Nc1n(nc(c1C2c1ccc(cc1)C(=O)OC)C)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 C34H29N7O3 MW 583.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H29N7O3/c1-4-44-25-18-16-24(17-19-25)36-31-33-38-32-29(21(2)39-41(32)28-11-7-8-20-35-28)30(22-12-14-23(15-13-22)34(42)43-3)40(33)27-10-6-5-9-26(27)37-31/h5-20,30H,4H2,1-3H3,(H,36,37)InChIKey
ZJKJKANCBDHAEQ-UHFFFAOYSA-NSynonyms
CCOC1=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=1SC34H29N7O3c144425181624(171925)363133383229(21(2)3941(32)281178203528)30(22121423(151322)34(42)433)40(33)271065926(27)3731h52030H4H213H3(H3637)
methyl4(6((4ethoxyphenyl)amino)10methyl8(pyridin2yl)811dihydropyrazolo(3445)pyrimido(12a)quinoxalin11yl)benzoate
MFCD03685125
ZINC000006150000
ZINC000006150008
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