Vitas-M small molecule compound
ethyl 4-[3-(4-methylbenzyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STK920229
SMILES CCOC(=O)c1ccc(cc1)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)Cc1ccc(cc1)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 C29H23N5O3 MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O3/c1-3-37-29(36)20-12-14-21(15-13-20)34-26-24(25-27(34)32-23-7-5-4-6-22(23)31-25)28(35)33(17-30-26)16-19-10-8-18(2)9-11-19/h4-15,17H,3,16H2,1-2H3InChIKey
UDRDVSHWFSVDAN-UHFFFAOYSA-NSynonyms
839700-26-4839700264
CCOC(=O)C1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC6=CC=C(C=C6)C
ethyl4(3(4methylbenzyl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
ethyl4(3(4methylbenzyl)4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
InChI=1SC29H23N5O3c133729(36)20121421(151320)342624(2527(34)3223754622(23)3125)28(35)33(173026)161910818(2)91119h41517H316H212H3
MFCD03692859
ZINC000002254911
ZINC02254911
ZINC2254911
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