Vitas-M small molecule compound
2-amino-4-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Catalog ID
STK959499
SMILES COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])c1c(C#N)c(N)nc2c1CCCC2
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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 C24H22N4O4 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4/c1-31-22-12-16(23-18-4-2-3-5-20(18)27-24(26)19(23)13-25)8-11-21(22)32-14-15-6-9-17(10-7-15)28(29)30/h6-12H,2-5,14H2,1H3,(H2,26,27)InChIKey
AYSCSGNANHKLTI-UHFFFAOYSA-NSynonyms
397874-99-62amino4(3methoxy4((4nitrobenzyl)oxy)phenyl)5678tetrahydroquinoline3carbonitrile
2amino4(3methoxy4((4nitrophenyl)methoxy)phenyl)5678tetrahydroquinoline3carbonitrile
397874996
COC1=C(C=CC(=C1)C2=C(C(=NC3=C2CCCC3)N)C#N)OCC4=CC=C(C=C4)(N+)(=O)(O)
COc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))c1c(C#N)c(N)nc2c1CCCC2
InChI=1SC24H22N4O4c131221216(2318423520(18)2724(26)19(23)1325)81121(22)3214156917(10715)28(29)30h612H2514H21H3(H22627)
MFCD02175274
ZINC000020228645
ZINC20228645
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