Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-5-(propan-2-yl)thiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK425490
SMILES CCOC(=O)c1cc(sc1NC(=O)C1C2C=CC(C1C(=O)O)C2)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 C19H23NO5S MW 377.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO5S/c1-4-25-19(24)12-8-13(9(2)3)26-17(12)20-16(21)14-10-5-6-11(7-10)15(14)18(22)23/h5-6,8-11,14-15H,4,7H2,1-3H3,(H,20,21)(H,22,23)InChIKey
JKEDKPVLRTUPEO-UHFFFAOYSA-NSynonyms
2((3ETHOXYCARBONYL5PROPAN2YLTHIOPHEN2YL)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((3(ethoxycarbonyl)5(propan2yl)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(3(ETHOXYCARBONYL)5(METHYLETHYL)2THIENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C2C3CC(C2C(=O)O)C=C3
InChI=1SC19H23NO5Sc142519(24)12813(9(2)3)2617(12)2016(21)14105611(710)15(14)18(22)23h568111415H47H213H3(H2021)(H2223)
MFCD02375068
ZINC000101392669
ZINC000239121155
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