Vitas-M small molecule compound
3-[(3-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK458562
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1cccc(c1)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 C16H17NO3 MW 271.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO3/c1-9-3-2-4-12(7-9)17-15(18)13-10-5-6-11(8-10)14(13)16(19)20/h2-7,10-11,13-14H,8H2,1H3,(H,17,18)(H,19,20)InChIKey
JIXWTVJWDIUOQC-UHFFFAOYSA-NSynonyms
2((3METHYLPHENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE3CARBOXYLICACID
3((3methylphenyl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(3METHYLPHENYL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
CC1=CC(=CC=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3
InChI=1SC16H17NO3c1932412(79)1715(18)13105611(810)14(13)16(19)20h2710111314H8H21H3(H1718)(H1920)
MFCD00167998
ZINC000102232103
ZINC000239121131
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