Vitas-M small molecule compound
3-(3-ethoxypropyl)-2-ethyl-11-(4-methyl-3-nitrophenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK990718
SMILES CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)[N+](=O)[O-])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 C26H26N6O4 MW 486.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N6O4/c1-4-21-29-24-22(26(33)30(21)13-8-14-36-5-2)23-25(28-19-10-7-6-9-18(19)27-23)31(24)17-12-11-16(3)20(15-17)32(34)35/h6-7,9-12,15H,4-5,8,13-14H2,1-3H3InChIKey
QFAGSQXIAJLHAH-UHFFFAOYSA-NSynonyms
3(3ethoxypropyl)2ethyl11(4methyl3nitrophenyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)C)(N+)(=O)(O))C(=O)N1CCCOCC
CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC26H26N6O4c1421292422(26(33)30(21)138143652)2325(28191076918(19)2723)31(24)17121116(3)20(1517)32(34)35h6791215H4581314H213H3
MFCD07801659
ZINC000006150880
ZINC06150880
ZINC6150880
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