Vitas-M small molecule compound

2-methoxyethyl 2,7,7-trimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK038882
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C

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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 C20H25NO4S MW 375.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO4S/c1-12-16(19(23)25-8-7-24-4)18(15-6-5-9-26-15)17-13(21-12)10-20(2,3)11-14(17)22/h5-6,9,18,21H,7-8,10-11H2,1-4H3
InChIKey
HLPMALILYUAEEE-UHFFFAOYSA-N
Synonyms
299450-66-1
299450661
2methoxyethyl277trimethyl5oxo4(thiophen2yl)145678hexahydroquinoline3carboxylate
2methoxyethyl277trimethyl5oxo4thiophen2yl1468tetrahydroquinoline3carboxylate
BENZO(D)IMIDAZOLE2(1CYCLOHEXEN1YL)
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CS3)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C
InChI=1SC20H25NO4Sc11216(19(23)2587244)18(156592615)1713(2112)1020(23)1114(17)22h5691821H781011H214H3
MFCD00770965
STK038882
ZINC000002757991
ZINC000002757992

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Available files

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