Vitas-M small molecule compound
ethyl 4-{[1-(2-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl]carbonyl}piperazine-1-carboxylate
Catalog ID
STL127256
SMILES CCOC(=O)N1CCN(CC1)C(=O)c1nnn(c1c1cccnc1)c1ccccc1Cl
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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 C21H21ClN6O3 MW 440.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN6O3/c1-2-31-21(30)27-12-10-26(11-13-27)20(29)18-19(15-6-5-9-23-14-15)28(25-24-18)17-8-4-3-7-16(17)22/h3-9,14H,2,10-13H2,1H3InChIKey
JNDBINFLFPGETE-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=N2)C3=CC=CC=C3Cl)C4=CN=CC=C4
ethyl4((1(2chlorophenyl)5(pyridin3yl)1H123triazol4yl)carbonyl)piperazine1carboxylate
ethyl4(1(2chlorophenyl)5pyridin3yltriazole4carbonyl)piperazine1carboxylate
InChI=1SC21H21ClN6O3c123121(30)27121026(111327)20(29)1819(15659231415)28(252418)17843716(17)22h3914H21013H21H3
MFCD20740081
ZINC000067262599
ZINC67262599
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