Vitas-M small molecule compound
3-[(4-chlorobenzyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Catalog ID
STK449534
SMILES O=C(C1C2CCC(C1C(=O)O)C=C2)NCc1ccc(cc1)Cl
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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 C17H18ClNO3 MW 319.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClNO3/c18-13-7-1-10(2-8-13)9-19-16(20)14-11-3-5-12(6-4-11)15(14)17(21)22/h1-3,5,7-8,11-12,14-15H,4,6,9H2,(H,19,20)(H,21,22)InChIKey
BHJUASNSOCANDM-UHFFFAOYSA-NSynonyms
2((4CHLOROPHENYL)METHYLCARBAMOYL)BICYCLO(222)OCT5ENE3CARBOXYLICACID
3((4chlorobenzyl)carbamoyl)bicyclo(222)oct5ene2carboxylicacid
3(N((4CHLOROPHENYL)METHYL)CARBAMOYL)BICYCLO(222)OCT5ENE2CARBOXYLICACID
C1CC2C=CC1C(C2C(=O)O)C(=O)NCC3=CC=C(C=C3)Cl
InChI=1SC17H18ClNO3c18137110(2813)91916(20)14113512(6411)15(14)17(21)22h1357811121415H469H2(H1920)(H2122)
MFCD03467393
ZINC000102259306
ZINC000245227305
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