Vitas-M small molecule compound

4-(4-hydroxy-3-methoxyphenyl)-2-[(naphthalen-1-ylmethyl)sulfanyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK553549
SMILES N#CC1=C(SCc2cccc3c2cccc3)NC2=C(C1c1ccc(c(c1)OC)O)C(=O)CCC2

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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 C28H24N2O3S MW 468.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O3S/c1-33-25-14-18(12-13-23(25)31)26-21(15-29)28(30-22-10-5-11-24(32)27(22)26)34-16-19-8-4-7-17-6-2-3-9-20(17)19/h2-4,6-9,12-14,26,30-31H,5,10-11,16H2,1H3
InChIKey
AUQFLDJUIXQQFT-UHFFFAOYSA-N
Synonyms
799769-87-2
4(4hydroxy3methoxyphenyl)2((naphthalen1ylmethyl)sulfanyl)5oxo145678hexahydroquinoline3carbonitrile
4(4hydroxy3methoxyphenyl)2((naphthalen1ylmethyl)thio)5oxo145678hexahydroquinoline3carbonitrile
4(4hydroxy3methoxyphenyl)2(naphthalen1ylmethylsulfanyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
799769872
COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC5=CC=CC=C54)C#N)O
InChI=1SC28H24N2O3Sc133251418(121323(25)31)2621(1529)28(30221051124(32)27(22)26)34161984717623920(17)19h24691214263031H5101116H21H3
MFCD03671282
ZINC000002203651
ZINC000002203653

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Available files

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