Vitas-M small molecule compound
ethyl 3-[2-methyl-3-(4-methylbenzyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STK714204
SMILES CCOC(=O)c1cccc(c1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)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 C30H25N5O3 MW 503.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O3/c1-4-38-30(37)21-8-7-9-22(16-21)35-27-25(26-28(35)33-24-11-6-5-10-23(24)32-26)29(36)34(19(3)31-27)17-20-14-12-18(2)13-15-20/h5-16H,4,17H2,1-3H3InChIKey
ACJSGDRWJWIIBG-UHFFFAOYSA-NSynonyms
836641-97-5836641975
CCOC(=O)C1=CC(=CC=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)CC6=CC=C(C=C6)C
ethyl3(2methyl3(4methylbenzyl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
ethyl3(2methyl3(4methylbenzyl)4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
InChI=1SC30H25N5O3c143830(37)2187922(1621)352725(2628(35)332411651023(24)3226)29(36)34(19(3)3127)1720141218(2)131520h516H417H213H3
MFCD03690868
ZINC000002251934
ZINC02251934
ZINC2251934
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