Vitas-M small molecule compound

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

Catalog ID
STK714365
SMILES CCc1nc2c(c(=O)n1Cc1ccc(cc1)Cl)c1c(n2Cc2ccccc2OC)nc2c(n1)cccc2

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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 C29H24ClN5O2 MW 509.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN5O2/c1-3-24-33-27-25(29(36)34(24)16-18-12-14-20(30)15-13-18)26-28(32-22-10-6-5-9-21(22)31-26)35(27)17-19-8-4-7-11-23(19)37-2/h4-15H,3,16-17H2,1-2H3
InChIKey
RWKCURMHPWYRQK-UHFFFAOYSA-N
Synonyms
850720-33-1
3(4chlorobenzyl)2ethyl11(2methoxybenzyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(4chlorobenzyl)2ethyl11(2methoxybenzyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
850720331
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5=CC=CC=C5OC)C(=O)N1CC6=CC=C(C=C6)Cl
InChI=1SC29H24ClN5O2c1324332725(29(36)34(24)1618121420(30)151318)2628(32221065921(22)3126)35(27)17198471123(19)372h415H31617H212H3
MFCD05692482
ZINC000002390868
ZINC02390868
ZINC2390868

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Available files

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