Vitas-M small molecule compound
3-{[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK315142
SMILES O=C(C1C2C=CC(C1C(=O)O)C2)Nc1ccn(n1)Cc1c(F)cccc1Cl
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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 C19H17ClFN3O3 MW 389.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClFN3O3/c20-13-2-1-3-14(21)12(13)9-24-7-6-15(23-24)22-18(25)16-10-4-5-11(8-10)17(16)19(26)27/h1-7,10-11,16-17H,8-9H2,(H,26,27)(H,22,23,25)InChIKey
RBUQLBKNECEQDR-UHFFFAOYSA-NSynonyms
1052557-18-21052557182
2((1((2chloro6fluorophenyl)methyl)pyrazol3yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((1(2chloro6fluorobenzyl)1Hpyrazol3yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
C1C2C=CC1C(C2C(=O)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F)C(=O)O
InChI=1SC19H17ClFN3O3c201321314(21)12(13)9247615(2324)2218(25)16104511(810)17(16)19(26)27h1710111617H89H2(H2627)(H222325)
MFCD06065105
ZINC000102023466
ZINC000239184841
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