Vitas-M small molecule compound

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

Catalog ID
STK005662
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)c1cccs1

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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 C24H25NO3S2 MW 439.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO3S2/c1-4-28-24(27)21-14(2)25-18-12-16(20-6-5-11-30-20)13-19(26)23(18)22(21)15-7-9-17(29-3)10-8-15/h5-11,16,22,25H,4,12-13H2,1-3H3
InChIKey
BQEAGWNBPANOMQ-UHFFFAOYSA-N
Synonyms
6627-67-4
6627674
CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)c1cccs1
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)SC)C(=O)CC(C2)C4=CC=CS4)C
ethyl2methyl4(4(methylsulfanyl)phenyl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ethyl2methyl4(4methylsulfanylphenyl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC24H25NO3S2c142824(27)2114(2)25181216(2065113020)1319(26)23(18)22(21)157917(293)10815h511162225H41213H213H3
MFCD02627274
STK005662
ZINC000001184396
ZINC000001184399

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Available files

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