Vitas-M small molecule compound

(2-{[3-(cyclopentylcarbamoyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-2-oxoethoxy)acetic acid

Catalog ID
STK470891
SMILES CCC1CCc2c(C1)sc(c2C(=O)NC1CCCC1)NC(=O)COCC(=O)O

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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 C20H28N2O5S MW 408.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O5S/c1-2-12-7-8-14-15(9-12)28-20(22-16(23)10-27-11-17(24)25)18(14)19(26)21-13-5-3-4-6-13/h12-13H,2-11H2,1H3,(H,21,26)(H,22,23)(H,24,25)
InChIKey
HQYILQMNTJOLHX-UHFFFAOYSA-N
Synonyms

(2((3(cyclopentylcarbamoyl)6ethyl4567tetrahydro1benzothiophen2yl)amino)2oxoethoxy)aceticacid
2(2((3(cyclopentylcarbamoyl)6ethyl4567tetrahydro1benzothiophen2yl)amino)2oxoethoxy)aceticacid
CCC1CCC2=C(C1)SC(=C2C(=O)NC3CCCC3)NC(=O)COCC(=O)O
InChI=1SC20H28N2O5Sc1212781415(912)2820(2216(23)10271117(24)25)18(14)19(26)2113534613h1213H211H21H3(H2126)(H2223)(H2425)
MFCD06021551
ZINC000017088030
ZINC000017088031

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Available files

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