Vitas-M small molecule compound

3-{[3-(cyclopentylcarbamoyl)thiophen-2-yl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid

Catalog ID
STK471580
SMILES O=C(C1C2CCC(C1C(=O)O)CC2)Nc1sccc1C(=O)NC1CCCC1

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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 C20H26N2O4S MW 390.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2O4S/c23-17(21-13-3-1-2-4-13)14-9-10-27-19(14)22-18(24)15-11-5-7-12(8-6-11)16(15)20(25)26/h9-13,15-16H,1-8H2,(H,21,23)(H,22,24)(H,25,26)
InChIKey
UPASAQBCVPZHFN-UHFFFAOYSA-N
Synonyms

2((3(cyclopentylcarbamoyl)thiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3(cyclopentylcarbamoyl)thiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(3(NCYCLOPENTYLCARBAMOYL)2THIENYL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
C1CCC(C1)NC(=O)C2=C(SC=C2)NC(=O)C3C4CCC(C3C(=O)O)CC4
InChI=1SC20H26N2O4Sc2317(2113312413)149102719(14)2218(24)15115712(8611)16(15)20(25)26h9131516H18H2(H2123)(H2224)(H2526)
MFCD06026324
ZINC000017079667
ZINC000017079670

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Available files

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