Vitas-M small molecule compound

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

Catalog ID
STK010779
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)c1ccc(c(c1)OC)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 C28H31NO5S MW 493.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5S/c1-6-34-28(31)25-16(2)29-21-13-19(18-9-12-23(32-3)24(15-18)33-4)14-22(30)27(21)26(25)17-7-10-20(35-5)11-8-17/h7-12,15,19,26,29H,6,13-14H2,1-5H3
InChIKey
HRYYTBSBUBDMRZ-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)c1ccc(c(c1)OC)OC
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)SC)C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C
ethyl7(34dimethoxyphenyl)2methyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
ethyl7(34dimethoxyphenyl)2methyl4(4methylsulfanylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H31NO5Sc163428(31)2516(2)29211319(1891223(323)24(1518)334)1422(30)27(21)26(25)1771020(355)11817h71215192629H61314H215H3
MFCD02224246
STK010779
ZINC000000679206
ZINC000000679211

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Available files

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