Vitas-M small molecule compound
butyl 4-[2-methyl-3-(3-methylbutyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STK990528
SMILES CCCCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)CCC(C)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 C29H31N5O3 MW 497.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O3/c1-5-6-17-37-29(36)20-11-13-21(14-12-20)34-26-24(28(35)33(19(4)30-26)16-15-18(2)3)25-27(34)32-23-10-8-7-9-22(23)31-25/h7-14,18H,5-6,15-17H2,1-4H3InChIKey
KEAXTIRGTAYGAC-UHFFFAOYSA-NSynonyms
844862-18-6844862186
butyl4(2methyl3(3methylbutyl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
butyl4(3isopentyl2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)CCC(C)C
InChI=1SC29H31N5O3c156173729(36)20111321(141220)342624(28(35)33(19(4)3026)161518(2)3)2527(34)32231087922(23)3125h71418H561517H214H3
MFCD04165696
ZINC000002412192
ZINC02412192
ZINC2412192
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