Vitas-M small molecule compound
methyl 4-{6-[(3,5-dimethylphenyl)amino]-10-methyl-8-(pyridin-2-yl)-8,11-dihydropyrazolo[3',4':4,5]pyrimido[1,2-a]quinoxalin-11-yl}benzoate
Catalog ID
STL032841
SMILES COC(=O)c1ccc(cc1)C1n2c(=Nc3c1c(C)nn3c1ccccn1)c(Nc1cc(C)cc(c1)C)nc1c2cccc1
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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 C34H29N7O2 MW 567.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H29N7O2/c1-20-17-21(2)19-25(18-20)36-31-33-38-32-29(22(3)39-41(32)28-11-7-8-16-35-28)30(23-12-14-24(15-13-23)34(42)43-4)40(33)27-10-6-5-9-26(27)37-31/h5-19,30H,1-4H3,(H,36,37)InChIKey
SMOCEMPSKHZORG-UHFFFAOYSA-NSynonyms
CC1=CC(=CC(=C1)NC2=NC3=CC=CC=C3N4C2=NC5=C(C4C6=CC=C(C=C6)C(=O)OC)C(=NN5C7=CC=CC=N7)C)C
InChI=1SC34H29N7O2c1201721(2)1925(1820)363133383229(22(3)3941(32)281178163528)30(23121424(151323)34(42)434)40(33)271065926(27)3731h51930H14H3(H3637)
methyl4(6((35dimethylphenyl)amino)10methyl8(pyridin2yl)811dihydropyrazolo(3445)pyrimido(12a)quinoxalin11yl)benzoate
MFCD03692008
ZINC000006149454
ZINC000006149506
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