Vitas-M small molecule compound
3-{[4-chloro-1-(2-chlorobenzyl)-1H-pyrazol-3-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK466852
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1nn(cc1Cl)Cc1ccccc1Cl
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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 C19H17Cl2N3O3 MW 406.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17Cl2N3O3/c20-13-4-2-1-3-12(13)8-24-9-14(21)17(23-24)22-18(25)15-10-5-6-11(7-10)16(15)19(26)27/h1-6,9-11,15-16H,7-8H2,(H,26,27)(H,22,23,25)InChIKey
IVFPJHMLDGJCJE-UHFFFAOYSA-NSynonyms
2((4chloro1((2chlorophenyl)methyl)pyrazol3yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((4chloro1(2chlorobenzyl)1Hpyrazol3yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
3(N(4CHLORO1((2CHLOROPHENYL)METHYL)PYRAZOL3YL)CARBAMOYL)BICYCLO(221)HEPT5ENE2CARBOXYLICACID
C1C2C=CC1C(C2C(=O)NC3=NN(C=C3Cl)CC4=CC=CC=C4Cl)C(=O)O
InChI=1SC19H17Cl2N3O3c2013421312(13)824914(21)17(2324)2218(25)15105611(710)16(15)19(26)27h169111516H78H2(H2627)(H222325)
MFCD06063152
ZINC000102329777
ZINC000239119564
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