Vitas-M small molecule compound
3-(4-methylbenzyl)-11-octyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK714097
SMILES CCCCCCCCn1c2ncn(c(=O)c2c2c1nc1ccccc1n2)Cc1ccc(cc1)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 C28H31N5O MW 453.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O/c1-3-4-5-6-7-10-17-33-26-24(25-27(33)31-23-12-9-8-11-22(23)30-25)28(34)32(19-29-26)18-21-15-13-20(2)14-16-21/h8-9,11-16,19H,3-7,10,17-18H2,1-2H3InChIKey
PNVQIHRQXNRPTB-UHFFFAOYSA-NSynonyms
836634-62-93(4methylbenzyl)11octyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(4methylbenzyl)11octyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
836634629
CCCCCCCCN1C2=C(C3=NC4=CC=CC=C4N=C31)C(=O)N(C=N2)CC5=CC=C(C=C5)C
InChI=1SC28H31N5Oc1345671017332624(2527(33)312312981122(23)3025)28(34)32(192926)1821151320(2)141621h89111619H37101718H212H3
MFCD03689476
ZINC000097952364
ZINC97952364
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