Vitas-M small molecule compound
6-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK375970
SMILES N#Cc1c(NC(=O)C2CC=CCC2C(=O)O)sc2c1CCC(C2)C(C)(C)C
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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 C21H26N2O3S MW 386.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O3S/c1-21(2,3)12-8-9-13-16(11-22)19(27-17(13)10-12)23-18(24)14-6-4-5-7-15(14)20(25)26/h4-5,12,14-15H,6-10H2,1-3H3,(H,23,24)(H,25,26)InChIKey
QPLLVENXOUMKGH-UHFFFAOYSA-NSynonyms
491831-91-5491831915
6((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3CC=CCC3C(=O)O
InChI=1SC21H26N2O3Sc121(23)12891316(1122)19(2717(13)1012)2318(24)14645715(14)20(25)26h45121415H610H213H3(H2324)(H2526)
MFCD01348817
ZINC000004155221
ZINC000239175763
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