Vitas-M small molecule compound
3-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK472137
SMILES N#Cc1c(NC(=O)C2C3CCC(C2C(=O)O)C=C3)sc(c1CC)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 C18H20N2O3S MW 344.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O3S/c1-3-12-9(2)24-17(13(12)8-19)20-16(21)14-10-4-6-11(7-5-10)15(14)18(22)23/h4,6,10-11,14-15H,3,5,7H2,1-2H3,(H,20,21)(H,22,23)InChIKey
MUAPAZVQVRZWTE-UHFFFAOYSA-NSynonyms
2((3cyano4ethyl5methylthiophen2yl)carbamoyl)bicyclo(222)oct5ene3carboxylicacid
3((3cyano4ethyl5methylthiophen2yl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3(N(3CYANO4ETHYL5METHYL2THIENYL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
CCC1=C(SC(=C1C#N)NC(=O)C2C3CCC(C2C(=O)O)C=C3)C
InChI=1SC18H20N2O3Sc13129(2)2417(13(12)819)2016(21)14104611(7510)15(14)18(22)23h4610111415H357H212H3(H2021)(H2223)
MFCD06060599
ZINC000102345998
ZINC000239347363
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