Vitas-M small molecule compound

2-(ethylsulfanyl)ethyl 4-(9-ethyl-9H-carbazol-3-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK017324
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)c1ccccc1n3CC)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 C29H32N2O3S MW 488.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O3S/c1-4-31-23-11-7-6-9-20(23)21-17-19(13-14-24(21)31)27-26(29(33)34-15-16-35-5-2)18(3)30-22-10-8-12-25(32)28(22)27/h6-7,9,11,13-14,17,27,30H,4-5,8,10,12,15-16H2,1-3H3
InChIKey
RKYFHYGIOFYIHC-UHFFFAOYSA-N
Synonyms
2(ethylsulfanyl)ethyl4(9ethyl9Hcarbazol3yl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(9ethylcarbazol3yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCN1C2=C(C=C(C=C2)C3C4=C(CCCC4=O)NC(=C3C(=O)OCCSCC)C)C5=CC=CC=C51
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)c1ccccc1n3CC)C(=O)CCC2
Registry IDs
MFCD01988851
ZINC000004081739
ZINC000004081744

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Available files

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