Vitas-M small molecule compound

2-(ethylsulfanyl)ethyl 4-[4-(methoxycarbonyl)phenyl]-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK403099
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(=O)OC)C(=O)CC(C2)c1ccccc1OC

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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 C30H33NO6S MW 535.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO6S/c1-5-38-15-14-37-30(34)26-18(2)31-23-16-21(22-8-6-7-9-25(22)35-3)17-24(32)28(23)27(26)19-10-12-20(13-11-19)29(33)36-4/h6-13,21,27,31H,5,14-17H2,1-4H3
InChIKey
HRTXCNQQVJLUSI-UHFFFAOYSA-N
Synonyms

2(ethylsulfanyl)ethyl4(4(methoxycarbonyl)phenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(4methoxycarbonylphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(=O)OC)C(=O)CC(C2)C4=CC=CC=C4OC)C
InChI=1SC30H33NO6Sc153815143730(34)2618(2)31231621(22867925(22)353)1724(32)28(23)27(26)19101220(131119)29(33)364h613212731H51417H214H3
MFCD03371084
ZINC000002771983
ZINC000002771986

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Available files

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