Vitas-M small molecule compound
3-({3-[(propan-2-yloxy)carbonyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}carbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK472004
SMILES CC(OC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)CC3)sc2c1CCC2)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 C21H27NO5S MW 405.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO5S/c1-10(2)27-21(26)17-13-4-3-5-14(13)28-19(17)22-18(23)15-11-6-8-12(9-7-11)16(15)20(24)25/h10-12,15-16H,3-9H2,1-2H3,(H,22,23)(H,24,25)InChIKey
WQMBSOYIDGEVGC-UHFFFAOYSA-NSynonyms
2((3propan2yloxycarbonyl56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)bicyclo(222)octane3carboxylicacid
3((3((propan2yloxy)carbonyl)56dihydro4Hcyclopenta(b)thiophen2yl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(3((METHYLETHYL)OXYCARBONYL)456TRIHYDROCYCLOPENTA(21D)THIOPHEN2YL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
CC(C)OC(=O)C1=C(SC2=C1CCC2)NC(=O)C3C4CCC(C3C(=O)O)CC4
InChI=1SC21H27NO5Sc110(2)2721(26)171343514(13)2819(17)2218(23)15116812(9711)16(15)20(24)25h10121516H39H212H3(H2223)(H2425)
MFCD06060179
ZINC000017083193
ZINC000017083196
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