Vitas-M small molecule compound
11-(4-butylphenyl)-3-(4-chlorobenzyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL225847
SMILES CCCCc1ccc(cc1)n1c2nc(C)n(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 C30H26ClN5O MW 508.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN5O/c1-3-4-7-20-12-16-23(17-13-20)36-28-26(27-29(36)34-25-9-6-5-8-24(25)33-27)30(37)35(19(2)32-28)18-21-10-14-22(31)15-11-21/h5-6,8-17H,3-4,7,18H2,1-2H3InChIKey
OJCBTJJNFXCTBB-UHFFFAOYSA-NSynonyms
835912-10-211(4butylphenyl)3(4chlorobenzyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(4butylphenyl)3(4chlorobenzyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
835912102
CCCCC1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)CC6=CC=C(C=C6)Cl
InChI=1SC30H26ClN5Oc134720121623(171320)362826(2729(36)3425965824(25)3327)30(37)35(19(2)3228)1821101422(31)151121h56817H34718H212H3
MFCD03687657
ZINC000002249899
ZINC02249899
ZINC2249899
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