Vitas-M small molecule compound
3-(butan-2-yl)-11-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990702
SMILES COc1ccc(cc1OC)CCn1c2nc3ccccc3nc2c2c1nc(CC)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 C28H31N5O3 MW 485.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O3/c1-6-17(3)33-23(7-2)31-26-24(28(33)34)25-27(30-20-11-9-8-10-19(20)29-25)32(26)15-14-18-12-13-21(35-4)22(16-18)36-5/h8-13,16-17H,6-7,14-15H2,1-5H3InChIKey
LKASKOAUBTYCKL-UHFFFAOYSA-NSynonyms
3(butan2yl)11(2(34dimethoxyphenyl)ethyl)2ethyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CCC5=CC(=C(C=C5)OC)OC)C(=O)N1C(C)CC
InChI=1SC28H31N5O3c1617(3)3323(72)312624(28(33)34)2527(302011981019(20)2925)32(26)151418121321(354)22(1618)365h8131617H671415H215H3
MFCD07801643
ZINC000008836065
ZINC000008836067
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