Vitas-M small molecule compound
11-[2-(cyclohex-1-en-1-yl)ethyl]-3-(3-ethoxypropyl)-2-ethyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990675
SMILES CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1
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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 C27H33N5O2 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N5O2/c1-3-22-30-25-23(27(33)31(22)16-10-18-34-4-2)24-26(29-21-14-9-8-13-20(21)28-24)32(25)17-15-19-11-6-5-7-12-19/h8-9,11,13-14H,3-7,10,12,15-18H2,1-2H3InChIKey
QAJYSRVFDNYFLS-UHFFFAOYSA-NSynonyms
11(2(cyclohex1en1yl)ethyl)3(3ethoxypropyl)2ethyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CCC5=CCCCC5)C(=O)N1CCCOCC
InChI=1SC27H33N5O2c1322302523(27(33)31(22)1610183442)2426(292114981320(21)2824)32(25)171519116571219h89111314H3710121518H212H3
MFCD05704951
ZINC000008836049
ZINC08836049
ZINC8836049
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