Vitas-M small molecule compound

3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(4-ethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK407400
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCC)C(=O)C(C(C2)C)C(=O)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 C26H33NO6S MW 487.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO6S/c1-6-32-18-10-8-17(9-11-18)22-21(26(30)33-12-13-34-7-2)16(4)27-19-14-15(3)20(25(29)31-5)24(28)23(19)22/h8-11,15,20,22,27H,6-7,12-14H2,1-5H3
InChIKey
BQNRIBQVVXMGTH-UHFFFAOYSA-N
Synonyms

3(2(ethylsulfanyl)ethyl)6methyl4(4ethoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(4ethoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC1=CC=C(C=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCCSCC)C
InChI=1SC26H33NO6Sc16321810817(91118)2221(26(30)3312133472)16(4)27191415(3)20(25(29)315)24(28)23(19)22h81115202227H671214H215H3
MFCD04057049
ZINC000009672774
ZINC000102008995

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Available files

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