Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK449593
SMILES CCOC(=O)c1cc(sc1NC(=O)C1C2CCC(C1C(=O)O)C=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 C18H21NO5S MW 363.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO5S/c1-3-24-18(23)12-8-9(2)25-16(12)19-15(20)13-10-4-6-11(7-5-10)14(13)17(21)22/h4,6,8,10-11,13-14H,3,5,7H2,1-2H3,(H,19,20)(H,21,22)InChIKey
ROMMXGFGJTUBFT-UHFFFAOYSA-NSynonyms
2((3ETHOXYCARBONYL5METHYLTHIOPHEN2YL)CARBAMOYL)BICYCLO(222)OCT5ENE3CARBOXYLICACID
3((3(ethoxycarbonyl)5methylthiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3(N(3(ETHOXYCARBONYL)5METHYL2THIENYL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
CCOC(=O)C1=C(SC(=C1)C)NC(=O)C2C3CCC(C2C(=O)O)C=C3
InChI=1SC18H21NO5Sc132418(23)1289(2)2516(12)1915(20)13104611(7510)14(13)17(21)22h46810111314H357H212H3(H1920)(H2122)
MFCD03467879
ZINC000102259537
ZINC000239403173
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