Vitas-M small molecule compound
6-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK471975
SMILES CCC1CCc2c(C1)sc(c2C#N)NC(=O)C1CC(=C(CC1C(=O)O)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/c1-4-13-5-6-14-17(10-22)20(27-18(14)9-13)23-19(24)15-7-11(2)12(3)8-16(15)21(25)26/h13,15-16H,4-9H2,1-3H3,(H,23,24)(H,25,26)InChIKey
XXZMGUWKZQIIBU-UHFFFAOYSA-NSynonyms
6((3cyano6ethyl4567tetrahydro1benzothiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3CC(=C(CC3C(=O)O)C)C
InChI=1SC21H26N2O3Sc1413561417(1022)20(2718(14)913)2319(24)15711(2)12(3)816(15)21(25)26h131516H49H213H3(H2324)(H2526)
MFCD06060140
ZINC000017078957
ZINC000239248049
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