Vitas-M small molecule compound
methyl 6-tert-butyl-2-[(cyclohexylcarbamoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK447393
SMILES COC(=O)c1c(NC(=O)NC2CCCCC2)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 C21H32N2O3S MW 392.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32N2O3S/c1-21(2,3)13-10-11-15-16(12-13)27-18(17(15)19(24)26-4)23-20(25)22-14-8-6-5-7-9-14/h13-14H,5-12H2,1-4H3,(H2,22,23,25)InChIKey
VLYCFOKDMWTGOP-UHFFFAOYSA-NSynonyms
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)NC3CCCCC3
InChI=1SC21H32N2O3Sc121(23)1310111516(1213)2718(17(15)19(24)264)2320(25)22148657914h1314H512H214H3(H2222325)
methyl6tertbutyl2((cyclohexylcarbamoyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6tertbutyl2(cyclohexylcarbamoylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD01340722
ZINC000005383727
ZINC000005383771
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