Vitas-M small molecule compound

11-(4-chloro-3-nitrophenyl)-3-heptyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

Catalog ID
STK714284
SMILES CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)[N+](=O)[O-])Cl

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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 C25H23ClN6O3 MW 490.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN6O3/c1-2-3-4-5-8-13-30-15-27-23-21(25(30)33)22-24(29-19-10-7-6-9-18(19)28-22)31(23)16-11-12-17(26)20(14-16)32(34)35/h6-7,9-12,14-15H,2-5,8,13H2,1H3
InChIKey
OSFGSHMIBSLJSS-UHFFFAOYSA-N
Synonyms
714932-02-2
11(4chloro3nitrophenyl)3heptyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(4chloro3nitrophenyl)3heptyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
714932022
CCCCCCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)Cl)(N+)(=O)(O)
CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC25H23ClN6O3c123458133015272321(25(30)33)2224(29191076918(19)2822)31(23)16111217(26)20(1416)32(34)35h679121415H25813H21H3
MFCD04192988
ZINC000001897017
ZINC01897017
ZINC1897017

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Available files

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