Vitas-M small molecule compound
11-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(4-methylbenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK714197
SMILES COc1cc(ccc1OC)CCn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)Cc1ccc(cc1)C
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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 C31H29N5O3 MW 519.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N5O3/c1-19-9-11-22(12-10-19)18-36-20(2)32-29-27(31(36)37)28-30(34-24-8-6-5-7-23(24)33-28)35(29)16-15-21-13-14-25(38-3)26(17-21)39-4/h5-14,17H,15-16,18H2,1-4H3InChIKey
WQOPIXPULJPROQ-UHFFFAOYSA-NSynonyms
836641-12-411(2(34dimethoxyphenyl)ethyl)2methyl3(4methylbenzyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(34dimethoxyphenethyl)2methyl3(4methylbenzyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
836641124
CC1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3CCC6=CC(=C(C=C6)OC)OC)C
InChI=1SC31H29N5O3c11991122(121019)183620(2)322927(31(36)37)2830(3424865723(24)3328)35(29)161521131425(383)26(1721)394h51417H151618H214H3
MFCD03690673
ZINC000002251745
ZINC02251745
ZINC2251745
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