Vitas-M small molecule compound
6-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK400462
SMILES CCCOC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc2c1CCCC2
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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 C20H25NO5S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO5S/c1-2-11-26-20(25)16-14-9-5-6-10-15(14)27-18(16)21-17(22)12-7-3-4-8-13(12)19(23)24/h3-4,12-13H,2,5-11H2,1H3,(H,21,22)(H,23,24)InChIKey
DLCAKYXPUCYWGE-UHFFFAOYSA-NSynonyms
353771-43-4353771434
6((3(propoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((3propoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC=CCC3C(=O)O
InChI=1SC20H25NO5Sc12112620(25)16149561015(14)2718(16)2117(22)12734813(12)19(23)24h341213H2511H21H3(H2122)(H2324)
MFCD01921667
ZINC000002086583
ZINC000002086586
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