Vitas-M small molecule compound
6-[(3-cyanothiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK471738
SMILES N#Cc1ccsc1NC(=O)C1CC(=C(CC1C(=O)O)C)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 C15H16N2O3S MW 304.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O3S/c1-8-5-11(12(15(19)20)6-9(8)2)13(18)17-14-10(7-16)3-4-21-14/h3-4,11-12H,5-6H2,1-2H3,(H,17,18)(H,19,20)InChIKey
POGWQBTURVPANA-UHFFFAOYSA-NSynonyms
6((3cyanothiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(N(3CYANO(2THIENYL))CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=C(C=CS2)C#N)C(=O)O)C
InChI=1SC15H16N2O3Sc18511(12(15(19)20)69(8)2)13(18)171410(716)342114h341112H56H212H3(H1718)(H1920)
MFCD06025716
ZINC000017031053
ZINC000017031058
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