Vitas-M small molecule compound

11-(4-butylphenyl)-3-(4-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

Catalog ID
STK714088
SMILES CCCCc1ccc(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 C29H24ClN5O MW 494.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN5O/c1-2-3-6-19-11-15-22(16-12-19)35-27-25(26-28(35)33-24-8-5-4-7-23(24)32-26)29(36)34(18-31-27)17-20-9-13-21(30)14-10-20/h4-5,7-16,18H,2-3,6,17H2,1H3
InChIKey
KKSFTZVFQPDHEN-UHFFFAOYSA-N
Synonyms
836627-17-9
11(4butylphenyl)3(4chlorobenzyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(4butylphenyl)3(4chlorobenzyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
836627179
CCCCC1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC6=CC=C(C=C6)Cl
InChI=1SC29H24ClN5Oc123619111522(161219)352725(2628(35)3324854723(24)3226)29(36)34(183127)172091321(30)141020h4571618H23617H21H3
MFCD03688456
ZINC000002250811
ZINC02250811
ZINC2250811

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Available files

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