Vitas-M small molecule compound
6-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK471998
SMILES CCOC(=O)c1c(NC(=O)C2CC(=C(CC2C(=O)O)C)C)sc2c1CCC(C2)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 C22H29NO5S MW 419.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO5S/c1-5-28-22(27)18-14-7-6-11(2)8-17(14)29-20(18)23-19(24)15-9-12(3)13(4)10-16(15)21(25)26/h11,15-16H,5-10H2,1-4H3,(H,23,24)(H,25,26)InChIKey
PYDNKZZUYLKQJX-UHFFFAOYSA-NSynonyms
6((3(ethoxycarbonyl)6methyl4567tetrahydro1benzothiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6((3ethoxycarbonyl6methyl4567tetrahydro1benzothiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3CC(=C(CC3C(=O)O)C)C
InChI=1SC22H29NO5Sc152822(27)18147611(2)817(14)2920(18)2319(24)15912(3)13(4)1016(15)21(25)26h111516H510H214H3(H2324)(H2526)
MFCD06060440
ZINC000017091919
ZINC000035898127
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