Vitas-M small molecule compound
3-{[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK472021
SMILES COC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)CC3)sc2c1CCCC2
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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 C20H25NO5S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO5S/c1-26-20(25)16-12-4-2-3-5-13(12)27-18(16)21-17(22)14-10-6-8-11(9-7-10)15(14)19(23)24/h10-11,14-15H,2-9H2,1H3,(H,21,22)(H,23,24)InChIKey
NTHDEMARMNPSMK-UHFFFAOYSA-NSynonyms
2((3methoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3(methoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4CCC(C3C(=O)O)CC4
InChI=1SC20H25NO5Sc12620(25)1612423513(12)2718(16)2117(22)14106811(9710)15(14)19(23)24h10111415H29H21H3(H2122)(H2324)
MFCD06060088
ZINC000017079936
ZINC000017079939
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