Vitas-M small molecule compound

propyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK020292
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)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 C21H25NO3S MW 371.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO3S/c1-4-12-25-21(24)18-13(2)22-16-6-5-7-17(23)20(16)19(18)14-8-10-15(26-3)11-9-14/h8-11,19,22H,4-7,12H2,1-3H3
InChIKey
VFSYMOATIRJYEG-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CCC2
CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)SC)C(=O)CCC2)C
InChI=1SC21H25NO3Sc14122521(24)1813(2)221665717(23)20(16)19(18)1481015(263)11914h8111922H4712H213H3
MFCD01823603
propyl2methyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
propyl2methyl4(4methylsulfanylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
STK020292
ZINC000002784341
ZINC000002784342

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Available files

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