Vitas-M small molecule compound
ethyl 3-[3-(2-chlorobenzyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STK714138
SMILES CCOC(=O)c1cccc(c1)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)Cc1ccccc1Cl
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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 C28H20ClN5O3 MW 509.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN5O3/c1-2-37-28(36)17-9-7-10-19(14-17)34-25-23(24-26(34)32-22-13-6-5-12-21(22)31-24)27(35)33(16-30-25)15-18-8-3-4-11-20(18)29/h3-14,16H,2,15H2,1H3InChIKey
LWKSKRNWHQRBHR-UHFFFAOYSA-NSynonyms
839704-32-4839704324
CCOC(=O)C1=CC(=CC=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC6=CC=CC=C6Cl
ethyl3(3(2chlorobenzyl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
ethyl3(3(2chlorobenzyl)4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
InChI=1SC28H20ClN5O3c123728(36)17971019(1417)342523(2426(34)322213651221(22)3124)27(35)33(163025)15188341120(18)29h31416H215H21H3
MFCD03693656
ZINC000002256007
ZINC02256007
ZINC2256007
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