Vitas-M small molecule compound
6-{[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK430189
SMILES CCC(C1CCc2c(C1)sc(c2C#N)NC(=O)C1CC=CCC1C(=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 C22H28N2O3S MW 400.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O3S/c1-4-22(2,3)13-9-10-14-17(12-23)20(28-18(14)11-13)24-19(25)15-7-5-6-8-16(15)21(26)27/h5-6,13,15-16H,4,7-11H2,1-3H3,(H,24,25)(H,26,27)InChIKey
AORQVCVHMJZNIX-UHFFFAOYSA-NSynonyms
6((3cyano6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3CC=CCC3C(=O)O
InChI=1SC22H28N2O3Sc1422(23)139101417(1223)20(2818(14)1113)2419(25)15756816(15)21(26)27h56131516H4711H213H3(H2425)(H2627)
MFCD01337163
ZINC000002736413
ZINC000239274693
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