Vitas-M small molecule compound
ethyl 4-[3-(4-chlorobenzyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STK714116
SMILES CCOC(=O)c1ccc(cc1)n1c2ncn(c(=O)c2c2c1nc1ccccc1n2)Cc1ccc(cc1)Cl
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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)18-9-13-20(14-10-18)34-25-23(24-26(34)32-22-6-4-3-5-21(22)31-24)27(35)33(16-30-25)15-17-7-11-19(29)12-8-17/h3-14,16H,2,15H2,1H3InChIKey
PFCARPOEWUWQAT-UHFFFAOYSA-NSynonyms
840457-88-7840457887
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)Cl
ethyl4(3(4chlorobenzyl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
ethyl4(3(4chlorobenzyl)4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
InChI=1SC28H20ClN5O3c123728(36)1891320(141018)342523(2426(34)3222643521(22)3124)27(35)33(163025)151771119(29)12817h31416H215H21H3
MFCD03694497
ZINC000002202106
ZINC02202106
ZINC2202106
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