Vitas-M small molecule compound
ethyl 4-[2-ethyl-3-(3-methylbutyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STK990684
SMILES CCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(CC)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 C28H29N5O3 MW 483.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O3/c1-5-22-31-25-23(27(34)32(22)16-15-17(3)4)24-26(30-21-10-8-7-9-20(21)29-24)33(25)19-13-11-18(12-14-19)28(35)36-6-2/h7-14,17H,5-6,15-16H2,1-4H3InChIKey
POUPJFKRDJWHCZ-UHFFFAOYSA-NSynonyms
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C(=O)OCC)C(=O)N1CCC(C)C
ethyl4(2ethyl3(3methylbutyl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
InChI=1SC28H29N5O3c1522312523(27(34)32(22)161517(3)4)2426(30211087920(21)2924)33(25)19131118(121419)28(35)3662h71417H561516H214H3
MFCD05702159
ZINC000006150825
ZINC06150825
ZINC6150825
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