Vitas-M small molecule compound

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

Catalog ID
STK470905
SMILES CCC1CCc2c(C1)sc(c2C(=O)NC1CCCC1)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 C24H34N2O4S MW 446.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H34N2O4S/c1-2-14-11-12-18-19(13-14)31-23(20(18)22(28)25-15-7-3-4-8-15)26-21(27)16-9-5-6-10-17(16)24(29)30/h14-17H,2-13H2,1H3,(H,25,28)(H,26,27)(H,29,30)
InChIKey
WBVJKQKVGKIRCQ-UHFFFAOYSA-N
Synonyms

2((3(cyclopentylcarbamoyl)6ethyl4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohexane1carboxylicacid
2((3(cyclopentylcarbamoyl)6ethyl4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohexanecarboxylicacid
CCC1CCC2=C(C1)SC(=C2C(=O)NC3CCCC3)NC(=O)C4CCCCC4C(=O)O
InChI=1SC24H34N2O4Sc121411121819(1314)3123(20(18)22(28)2515734815)2621(27)169561017(16)24(29)30h1417H213H21H3(H2528)(H2627)(H2930)
MFCD06021495
ZINC000019645159
ZINC000239235498

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Available files

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