Vitas-M small molecule compound

11-(3,4-dimethoxyphenyl)-2-ethyl-3-(3-methylbutyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

Catalog ID
STK714366
SMILES COc1cc(ccc1OC)n1c2nc(CC)n(c(=O)c2c2c1nc1ccccc1n2)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 C27H29N5O3 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O3/c1-6-22-30-25-23(27(33)31(22)14-13-16(2)3)24-26(29-19-10-8-7-9-18(19)28-24)32(25)17-11-12-20(34-4)21(15-17)35-5/h7-12,15-16H,6,13-14H2,1-5H3
InChIKey
XJSKOCDDQIYFNU-UHFFFAOYSA-N
Synonyms
850800-17-8
11(34dimethoxyphenyl)2ethyl3(3methylbutyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(34dimethoxyphenyl)2ethyl3isopentyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
850800178
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)OC)OC)C(=O)N1CCC(C)C
InChI=1SC27H29N5O3c1622302523(27(33)31(22)141316(2)3)2426(29191087918(19)2824)32(25)17111220(344)21(1517)355h7121516H61314H215H3
MFCD05695370
ZINC000002429849
ZINC02429849
ZINC2429849

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Available files

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