Vitas-M small molecule compound
3-methyl-4-{[(E)-(2-oxocyclohexylidene)methyl]amino}benzoic acid
Catalog ID
STK132454
SMILES O=C1CCCC/C/1=C\Nc1ccc(cc1C)C(=O)O
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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 C15H17NO3 MW 259.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17NO3/c1-10-8-11(15(18)19)6-7-13(10)16-9-12-4-2-3-5-14(12)17/h6-9,16H,2-5H2,1H3,(H,18,19)/b12-9+InChIKey
XEGGEBDBXPBQLS-FMIVXFBMSA-NSynonyms
755018-47-4(E)3methyl4(((2oxocyclohexylidene)methyl)amino)benzoicacid
3METHYL4(((E)(2OXOCYCLOHEXYLIDENE)METHYL)AMINO)BENZOICACID
3METHYL4(((E)(2OXOCYCLOHEXYLIDENE)METHYL)AMMONIO)BENZOATE
3methyl4(((E)(2oxocyclohexylidene)methyl)azaniumyl)benzoate
3METHYL4((2OXOCYCLOHEX(E)YLIDENEMETHYL)AMINO)BENZOICACID
755018474
CC1=C(C=CC(=C1)C(=O)(O))(NH2+)C=C2CCCCC2=O
InChI=1SC15H17NO3c110811(15(18)19)6713(10)16912423514(12)17h6916H25H21H3(H1819)b129+
O=C1CCCCC1=CNc1ccc(cc1C)C(=O)O
ZINC527121
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