Vitas-M small molecule compound
3-{[3-(ethoxycarbonyl)-5-propylthiophen-2-yl]carbamoyl}-7-(propan-2-ylidene)bicyclo[2.2.1]heptane-2-carboxylic acid
Catalog ID
STK432964
SMILES CCOC(=O)c1cc(sc1NC(=O)C1C(C(=O)O)C2C(=C(C)C)C1CC2)CCC
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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/c1-5-7-12-10-15(22(27)28-6-2)20(29-12)23-19(24)17-13-8-9-14(16(13)11(3)4)18(17)21(25)26/h10,13-14,17-18H,5-9H2,1-4H3,(H,23,24)(H,25,26)InChIKey
UURQRNAEFYOBCJ-UHFFFAOYSA-NSynonyms
2((3ETHOXYCARBONYL5PROPYLTHIOPHEN2YL)CARBAMOYL)7PROPAN2YLIDENEBICYCLO(221)HEPTANE3CARBOXYLICACID
3((3(ethoxycarbonyl)5propylthiophen2yl)carbamoyl)7(propan2ylidene)bicyclo(221)heptane2carboxylicacid
3(N(3(ETHOXYCARBONYL)5PROPYL(2THIENYL))CARBAMOYL)7(METHYLETHYLIDENE)BICYCLO(221)HEPTANE2CARBOXYLICACID
CCCC1=CC(=C(S1)NC(=O)C2C3CCC(C2C(=O)O)C3=C(C)C)C(=O)OCC
InChI=1SC22H29NO5Sc157121015(22(27)2862)20(2912)2319(24)17138914(16(13)11(3)4)18(17)21(25)26h1013141718H59H214H3(H2324)(H2526)
MFCD02375069
ZINC000101710070
ZINC000101710081
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