Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-5-(propan-2-yl)thiophen-2-yl]carbamoyl}-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK425523
SMILES CCOC(=O)c1cc(sc1NC(=O)C1C2CCC(C1C(=O)O)C2=C(C)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 C22H29NO5S MW 419.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO5S/c1-6-28-22(27)14-9-15(10(2)3)29-20(14)23-19(24)17-12-7-8-13(16(12)11(4)5)18(17)21(25)26/h9-10,12-13,17-18H,6-8H2,1-5H3,(H,23,24)(H,25,26)InChIKey
KMGHPDNJIREZLH-UHFFFAOYSA-NSynonyms
2((3ETHOXYCARBONYL5PROPAN2YLTHIOPHEN2YL)CARBAMOYL)7PROPAN2YLIDENEBICYCLO(221)HEPTANE3CARBOXYLICACID
3(((3(ETHOXYCARBONYL)5ISOPROPYL2THIENYL)AMINO)CARBONYL)7(1METHYLETHYLIDENE)BICYCLO(221)HEPTANE2CARBOXYLICACID
3((3(ethoxycarbonyl)5(propan2yl)thiophen2yl)carbamoyl)7(propan2ylidene)bicyclo(221)heptane2carboxylicacid
3(N(3(ETHOXYCARBONYL)5(METHYLETHYL)(2THIENYL))CARBAMOYL)7(METHYLETHYLIDENE)BICYCLO(221)HEPTANE2CARBOXYLICACID
CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C2C3CCC(C2C(=O)O)C3=C(C)C
InChI=1SC22H29NO5Sc162822(27)14915(10(2)3)2920(14)2319(24)17127813(16(12)11(4)5)18(17)21(25)26h91012131718H68H215H3(H2324)(H2526)
MFCD02375055
ZINC000169619999
ZINC000239331324
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.