Vitas-M small molecule compound
11-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-(3-methylbutyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK714364
SMILES COc1ccc(cc1OC)CCn1c2nc3ccccc3nc2c2c1nc(CC)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 C29H33N5O3 MW 499.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N5O3/c1-6-24-32-27-25(29(35)33(24)15-13-18(2)3)26-28(31-21-10-8-7-9-20(21)30-26)34(27)16-14-19-11-12-22(36-4)23(17-19)37-5/h7-12,17-18H,6,13-16H2,1-5H3InChIKey
QUNRRMFWRVXTNQ-UHFFFAOYSA-NSynonyms
850900-47-911(2(34dimethoxyphenyl)ethyl)2ethyl3(3methylbutyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(34dimethoxyphenethyl)2ethyl3isopentyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
850900479
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CCC5=CC(=C(C=C5)OC)OC)C(=O)N1CCC(C)C
InChI=1SC29H33N5O3c1624322725(29(35)33(24)151318(2)3)2628(31211087920(21)3026)34(27)161419111222(364)23(1719)375h7121718H61316H215H3
MFCD05695885
ZINC000002449791
ZINC02449791
ZINC2449791
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