Vitas-M small molecule compound
octyl 7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STL192230
SMILES CCCCCCCCOC(=O)C1=C(C)Nc2n(C1c1ccc(cc1)Cl)ncn2
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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 C21H27ClN4O2 MW 402.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN4O2/c1-3-4-5-6-7-8-13-28-20(27)18-15(2)25-21-23-14-24-26(21)19(18)16-9-11-17(22)12-10-16/h9-12,14,19H,3-8,13H2,1-2H3,(H,23,24,25)InChIKey
LJRBYPDKDUNYEI-UHFFFAOYSA-NSynonyms
CCCCCCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=C(C=C3)Cl)C
InChI=1SC21H27ClN4O2c1345678132820(27)1815(2)252123142426(21)19(18)1691117(22)121016h9121419H3813H212H3(H232425)
MFCD14730023
octyl7(4chlorophenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxylate
octyl7(4chlorophenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
ZINC000101284717
ZINC000101284721
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