Vitas-M small molecule compound
methyl 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
STK990523
SMILES COC(=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 C26H25N5O3 MW 455.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O3/c1-15(2)13-14-30-16(3)27-23-21(25(30)32)22-24(29-20-8-6-5-7-19(20)28-22)31(23)18-11-9-17(10-12-18)26(33)34-4/h5-12,15H,13-14H2,1-4H3InChIKey
UCMAPEBNXYTFGH-UHFFFAOYSA-NSynonyms
842964-17-4842964174
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C(=O)OC)C(=O)N1CCC(C)C
InChI=1SC26H25N5O3c115(2)13143016(3)272321(25(30)32)2224(2920865719(20)2822)31(23)1811917(101218)26(33)344h51215H1314H214H3
methyl4(2methyl3(3methylbutyl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
methyl4(3isopentyl2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
MFCD04162262
ZINC000002407225
ZINC02407225
ZINC2407225
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