Vitas-M small molecule compound
11-(4-butylphenyl)-2-ethyl-3-(tetrahydrofuran-2-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990712
SMILES CCCCc1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(CC)n(c2=O)CC1CCCO1
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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 C29H31N5O2 MW 481.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O2/c1-3-5-9-19-13-15-20(16-14-19)34-27-25(26-28(34)31-23-12-7-6-11-22(23)30-26)29(35)33(24(4-2)32-27)18-21-10-8-17-36-21/h6-7,11-16,21H,3-5,8-10,17-18H2,1-2H3InChIKey
UVYUFBAVSMSEKZ-UHFFFAOYSA-NSynonyms
11(4butylphenyl)2ethyl3(tetrahydrofuran2ylmethyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
CCCCC1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)CC)CC6CCCO6
InChI=1SC29H31N5O2c135919131520(161419)342725(2628(34)312312761122(23)3026)29(35)33(24(42)3227)1821108173621h67111621H358101718H212H3
MFCD07801653
ZINC000006150859
ZINC000006150862
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