Vitas-M small molecule compound
3-(butan-2-yl)-11-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK920415
SMILES COc1ccc(cc1OC)CCn1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C(CC)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 C27H29N5O3 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O3/c1-6-16(2)32-17(3)28-25-23(27(32)33)24-26(30-20-10-8-7-9-19(20)29-24)31(25)14-13-18-11-12-21(34-4)22(15-18)35-5/h7-12,15-16H,6,13-14H2,1-5H3InChIKey
AKIOLUMSJMRUCG-UHFFFAOYSA-NSynonyms
848870-34-83(butan2yl)11(2(34dimethoxyphenyl)ethyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(secbutyl)11(34dimethoxyphenethyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
848870348
CCC(C)N1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2CCC5=CC(=C(C=C5)OC)OC)C
InChI=1SC27H29N5O3c1616(2)3217(3)282523(27(32)33)2426(30201087919(20)2924)31(25)141318111221(344)22(1518)355h7121516H61314H215H3
MFCD04197634
ZINC000002439215
ZINC000002439217
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