Vitas-M small molecule compound
ethyl 1-{[5-(3-chlorophenyl)-1H-pyrazol-3-yl]carbonyl}piperidine-3-carboxylate
Catalog ID
STL027229
SMILES CCOC(=O)C1CCCN(C1)C(=O)c1n[nH]c(c1)c1cccc(c1)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 C18H20ClN3O3 MW 361.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClN3O3/c1-2-25-18(24)13-6-4-8-22(11-13)17(23)16-10-15(20-21-16)12-5-3-7-14(19)9-12/h3,5,7,9-10,13H,2,4,6,8,11H2,1H3,(H,20,21)InChIKey
JBGOFBDFDOYACV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1CCCN(C1)C(=O)c1n(nH)c(c1)c1cccc(c1)Cl
CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2)C3=CC(=CC=C3)Cl
ethyl1((5(3chlorophenyl)1Hpyrazol3yl)carbonyl)piperidine3carboxylate
ethyl1(3(3chlorophenyl)1Hpyrazole5carbonyl)piperidine3carboxylate
InChI=1SC18H20ClN3O3c122518(24)1364822(1113)17(23)161015(202116)1253714(19)912h35791013H246811H21H3(H2021)
MFCD18187889
ZINC000057413322
ZINC000057413325
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