Vitas-M small molecule compound
3-{[6-tert-butyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STL504302
SMILES CCOC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)CC3)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 C25H35NO5S MW 461.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35NO5S/c1-5-31-24(30)20-16-11-10-15(25(2,3)4)12-17(16)32-22(20)26-21(27)18-13-6-8-14(9-7-13)19(18)23(28)29/h13-15,18-19H,5-12H2,1-4H3,(H,26,27)(H,28,29)InChIKey
WZBBVSIUHDLBJA-UHFFFAOYSA-NSynonyms
17378809
3((6~(tert)butyl3ethoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
3((6tertbutyl3(ethoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
InChI=1SC25H35NO5Sc153124(30)2016111015(25(23)4)1217(16)3222(20)2621(27)18136814(9713)19(18)23(28)29h13151819H512H214H3(H2627)(H2829)
MFCD06060225
ZINC000020168305
ZINC000035898103
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