Vitas-M small molecule compound
3-(butan-2-yl)-11-[2-(cyclohex-1-en-1-yl)ethyl]-2-ethyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990698
SMILES CCC(n1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1)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 C26H31N5O MW 429.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N5O/c1-4-17(3)31-21(5-2)29-24-22(26(31)32)23-25(28-20-14-10-9-13-19(20)27-23)30(24)16-15-18-11-7-6-8-12-18/h9-11,13-14,17H,4-8,12,15-16H2,1-3H3InChIKey
DSRDVCSWAUOBKJ-UHFFFAOYSA-NSynonyms
3(butan2yl)11(2(cyclohex1en1yl)ethyl)2ethyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CCC5=CCCCC5)C(=O)N1C(C)CC
InChI=1SC26H31N5Oc1417(3)3121(52)292422(26(31)32)2325(2820141091319(20)2723)30(24)161518117681218h911131417H48121516H213H3
MFCD07801639
ZINC000005030667
ZINC000005030673
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