Vitas-M small molecule compound
11-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(3-methylbutyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK646256
SMILES COc1ccc(cc1OC)CCn1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)CCC(C)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 C28H31N5O3 MW 485.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O3/c1-17(2)12-14-32-18(3)29-26-24(28(32)34)25-27(31-21-9-7-6-8-20(21)30-25)33(26)15-13-19-10-11-22(35-4)23(16-19)36-5/h6-11,16-17H,12-15H2,1-5H3InChIKey
YHJPQUFHKPXHHG-UHFFFAOYSA-NSynonyms
846582-41-011(2(34dimethoxyphenyl)ethyl)2methyl3(3methylbutyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(34dimethoxyphenethyl)3isopentyl2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
846582410
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CCC5=CC(=C(C=C5)OC)OC)C(=O)N1CCC(C)C
InChI=1SC28H31N5O3c117(2)12143218(3)292624(28(32)34)2527(3121976820(21)3025)33(26)151319101122(354)23(1619)365h6111617H1215H215H3
MFCD04175343
ZINC000009304807
ZINC09304807
ZINC9304807
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