Vitas-M small molecule compound
3-{[3-(methoxycarbonyl)-5-methylthiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK472069
SMILES COC(=O)c1cc(sc1NC(=O)C1C2CCC(C1C(=O)O)CC2)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 C17H21NO5S MW 351.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO5S/c1-8-7-11(17(22)23-2)15(24-8)18-14(19)12-9-3-5-10(6-4-9)13(12)16(20)21/h7,9-10,12-13H,3-6H2,1-2H3,(H,18,19)(H,20,21)InChIKey
ZOVUUBNABKYVSE-UHFFFAOYSA-NSynonyms
2((3methoxycarbonyl5methylthiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3(methoxycarbonyl)5methylthiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(3(METHOXYCARBONYL)5METHYL2THIENYL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
CC1=CC(=C(S1)NC(=O)C2C3CCC(C2C(=O)O)CC3)C(=O)OC
InChI=1SC17H21NO5Sc18711(17(22)232)15(248)1814(19)1293510(649)13(12)16(20)21h79101213H36H212H3(H1819)(H2021)
MFCD06060767
ZINC000017072892
ZINC000017072895
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