Vitas-M small molecule compound

2-{[6-ethyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid

Catalog ID
STK430209
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)C1CCCCC1C(=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 C20H27NO5S MW 393.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO5S/c1-3-11-8-9-14-15(10-11)27-18(16(14)20(25)26-2)21-17(22)12-6-4-5-7-13(12)19(23)24/h11-13H,3-10H2,1-2H3,(H,21,22)(H,23,24)
InChIKey
RSSRWUKYZJVTQJ-UHFFFAOYSA-N
Synonyms

2((6ethyl3(methoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohexanecarboxylicacid
2((6ethyl3methoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohexane1carboxylicacid
CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CCCCC3C(=O)O
InChI=1SC20H27NO5Sc1311891415(1011)2718(16(14)20(25)262)2117(22)12645713(12)19(23)24h1113H310H212H3(H2122)(H2324)
MFCD01342409
ZINC000005476641
ZINC000239403306

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Available files

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