Vitas-M small molecule compound
propyl {[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate
Catalog ID
STK886408
SMILES CCCOC(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)OC
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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 C24H28N2O4S MW 440.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O4S/c1-5-10-30-20(28)14-31-23-17(13-25)21(15-6-8-16(29-4)9-7-15)22-18(26-23)11-24(2,3)12-19(22)27/h6-9,21,26H,5,10-12,14H2,1-4H3InChIKey
GSVYLVZNEYULPI-UHFFFAOYSA-NSynonyms
799799-82-9799799829
CCCOC(=O)CSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OC)C#N
InChI=1SC24H28N2O4Sc15103020(28)14312317(1325)21(156816(294)9715)2218(2623)1124(23)1219(22)27h692126H5101214H214H3
MFCD03678046
propyl((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)acetate
propyl2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)thio)acetate
propyl2((3cyano4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)acetate
ZINC000013045468
ZINC000013045477
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