Vitas-M small molecule compound
4-(6-chloro-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK402492
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1Cl)C#N)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 C25H21ClN2O4 MW 448.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O4/c1-13-18(11-27)24(17-9-22-23(10-19(17)26)32-12-31-22)25-20(28-13)7-15(8-21(25)29)14-3-5-16(30-2)6-4-14/h3-6,9-10,15,24,28H,7-8,12H2,1-2H3InChIKey
JCZKZLXGIXEDGS-UHFFFAOYSA-NSynonyms
4(6chloro13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carbonitrile
4(6chloro13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carbonitrile
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4Cl)OCO5)C#N
InChI=1SC25H21ClN2O4c11318(1127)24(1792223(1019(17)26)32123122)2520(2813)715(821(25)29)143516(302)6414h36910152428H7812H212H3
MFCD01572213
ZINC000019648171
ZINC000019648180
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