Vitas-M small molecule compound

11-benzyl-2-ethyl-3-hexyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

Catalog ID
STK542564
SMILES CCCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1

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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/c1-3-5-6-12-17-31-22(4-2)30-25-23(27(31)33)24-26(29-21-16-11-10-15-20(21)28-24)32(25)18-19-13-8-7-9-14-19/h7-11,13-16H,3-6,12,17-18H2,1-2H3
InChIKey
NRSYWPWPELXMET-UHFFFAOYSA-N
Synonyms

11benzyl2ethyl3hexyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11benzyl2ethyl3hexyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
CCCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2CC5=CC=CC=C5)CC
InChI=1SC27H29N5Oc135612173122(42)302523(27(31)33)2426(29211611101520(21)2824)32(25)1819138791419h7111316H36121718H212H3
MFCD02984433
ZINC000002313223
ZINC02313223
ZINC2313223

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Available files

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