Vitas-M small molecule compound
6-{[6-tert-butyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK400513
SMILES CCOC(=O)c1c(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 C23H31NO5S MW 433.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO5S/c1-5-29-22(28)18-16-11-10-13(23(2,3)4)12-17(16)30-20(18)24-19(25)14-8-6-7-9-15(14)21(26)27/h6-7,13-15H,5,8-12H2,1-4H3,(H,24,25)(H,26,27)InChIKey
FRXLAJHLCSTUGA-UHFFFAOYSA-NSynonyms
489410-08-4489410084
6((6tertbutyl3(ethoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((6tertbutyl3ethoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3CC=CCC3C(=O)O
InChI=1SC23H31NO5Sc152922(28)1816111013(23(23)4)1217(16)3020(18)2419(25)14867915(14)21(26)27h671315H5812H214H3(H2425)(H2627)
MFCD02174647
ZINC000003983176
ZINC000017098569
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