Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-4-ethyl-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK449629
SMILES CCOC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)C=C3)sc(c1CC)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 C20H25NO5S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO5S/c1-4-13-10(3)27-18(16(13)20(25)26-5-2)21-17(22)14-11-6-8-12(9-7-11)15(14)19(23)24/h6,8,11-12,14-15H,4-5,7,9H2,1-3H3,(H,21,22)(H,23,24)InChIKey
WNONPYXRQSNKDT-UHFFFAOYSA-NSynonyms
2(((3ETHOXYCARBONYL4ETHYL5METHYL2THIOPHENYL)AMINO)OXOMETHYL)3BICYCLO(222)OCT5ENECARBOXYLICACID
2((3CARBETHOXY4ETHYL5METHYL2THIENYL)CARBAMOYL)BICYCLO(222)OCT5ENE3CARBOXYLICACID
2((3ETHOXYCARBONYL4ETHYL5METHYLTHIOPHEN2YL)CARBAMOYL)BICYCLO(222)OCT5ENE3CARBOXYLICACID
3(((3(ETHOXYCARBONYL)4ETHYL5METHYL2THIENYL)AMINO)CARBONYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
3((3(ethoxycarbonyl)4ethyl5methylthiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3(N(3(ETHOXYCARBONYL)4ETHYL5METHYL2THIENYL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
CCC1=C(SC(=C1C(=O)OCC)NC(=O)C2C3CCC(C2C(=O)O)C=C3)C
InChI=1SC20H25NO5Sc141310(3)2718(16(13)20(25)2652)2117(22)14116812(9711)15(14)19(23)24h6811121415H4579H213H3(H2122)(H2324)
MFCD03467688
ZINC000100507457
ZINC000239235702
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.