Vitas-M small molecule compound
3-{[2-(methylsulfanyl)phenyl]carbamoyl}bicyclo[2.2.2]octane-2-carboxylic acid
Catalog ID
STK474746
SMILES CSc1ccccc1NC(=O)C1C2CCC(C1C(=O)O)CC2
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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 C17H21NO3S MW 319.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO3S/c1-22-13-5-3-2-4-12(13)18-16(19)14-10-6-8-11(9-7-10)15(14)17(20)21/h2-5,10-11,14-15H,6-9H2,1H3,(H,18,19)(H,20,21)InChIKey
LKLDANCDBVFSSK-UHFFFAOYSA-NSynonyms
2((2METHYLSULFANYLPHENYL)CARBAMOYL)BICYCLO(222)OCTANE3CARBOXYLICACID
3((2(methylsulfanyl)phenyl)carbamoyl)bicyclo(222)octane2carboxylicacid
3(N(2METHYLTHIOPHENYL)CARBAMOYL)BICYCLO(222)OCTANE2CARBOXYLICACID
CSC1=CC=CC=C1NC(=O)C2C3CCC(C2C(=O)O)CC3
InChI=1SC17H21NO3Sc12213532412(13)1816(19)14106811(9710)15(14)17(20)21h2510111415H69H21H3(H1819)(H2021)
MFCD06065728
ZINC000006742586
ZINC000006742589
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