Vitas-M small molecule compound

tetrahydrofuran-2-ylmethyl 2-methyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402532
SMILES O=C(C1=C(C)NC2=C(C1c1ccsc1)C(=O)CCC2)OCC1CCCO1

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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 C20H23NO4S MW 373.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO4S/c1-12-17(20(23)25-10-14-4-3-8-24-14)18(13-7-9-26-11-13)19-15(21-12)5-2-6-16(19)22/h7,9,11,14,18,21H,2-6,8,10H2,1H3
InChIKey
RRZCPCGOTZGOFJ-UHFFFAOYSA-N
Synonyms
312620-07-8
312620078
CC1=C(C(C2=C(N1)CCCC2=O)C3=CSC=C3)C(=O)OCC4CCCO4
InChI=1SC20H23NO4Sc11217(20(23)2510144382414)18(1379261113)1915(2112)52616(19)22h7911141821H26810H21H3
MFCD01825118
oxolan2ylmethyl2methyl5oxo4thiophen3yl4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl2methyl5oxo4(thiophen3yl)145678hexahydroquinoline3carboxylate
ZINC000019831042
ZINC000019831045

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Available files

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