Vitas-M small molecule compound

propyl {[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetate

Catalog ID
STK887440
SMILES CCCOC(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)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 C23H25ClN2O3S MW 444.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN2O3S/c1-4-9-29-19(28)13-30-22-16(12-25)20(14-5-7-15(24)8-6-14)21-17(26-22)10-23(2,3)11-18(21)27/h5-8,20,26H,4,9-11,13H2,1-3H3
InChIKey
PBVHFCDLDNFGCE-UHFFFAOYSA-N
Synonyms

CCCOC(=O)CSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)Cl)C#N
InChI=1SC23H25ClN2O3Sc1492919(28)13302216(1225)20(145715(24)8614)2117(2622)1023(23)1118(21)27h582026H491113H213H3
MFCD03000604
propyl((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)acetate
propyl2((4(4chlorophenyl)3cyano77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)acetate
ZINC000040486424
ZINC000040486426

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.