Vitas-M small molecule compound

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

Catalog ID
STK990681
SMILES CCc1nc2n(c3ccc(c(c3)C)C)c3c(c2c(=O)n1CCC(C)C)nc1c(n3)cccc1

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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 C27H29N5O MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N5O/c1-6-22-30-25-23(27(33)31(22)14-13-16(2)3)24-26(29-21-10-8-7-9-20(21)28-24)32(25)19-12-11-17(4)18(5)15-19/h7-12,15-16H,6,13-14H2,1-5H3
InChIKey
GGHZWKWPUOVVID-UHFFFAOYSA-N
Synonyms

11(34dimethylphenyl)2ethyl3(3methylbutyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)C)C)C(=O)N1CCC(C)C
InChI=1SC27H29N5Oc1622302523(27(33)31(22)141316(2)3)2426(29211087920(21)2824)32(25)19121117(4)18(5)1519h7121516H61314H215H3
MFCD05703575
ZINC000006150817
ZINC06150817
ZINC6150817

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Available files

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