Vitas-M small molecule compound

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

Catalog ID
STK363367
SMILES CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)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 C21H25NO3S MW 371.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO3S/c1-12-17(20(24)25-4)18(13-6-8-14(26-5)9-7-13)19-15(22-12)10-21(2,3)11-16(19)23/h6-9,18,22H,10-11H2,1-5H3
InChIKey
BHABEHSKTWVWNB-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)SC)C(=O)OC
InChI=1SC21H25NO3Sc11217(20(24)254)18(136814(265)9713)1915(2212)1021(23)1116(19)23h691822H1011H215H3
methyl277trimethyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
methyl277trimethyl4(4methylsulfanylphenyl)5oxo1468tetrahydroquinoline3carboxylate
MFCD01191852
ZINC000019771390
ZINC000019771391

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Available files

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