Vitas-M small molecule compound
N-(4-chlorophenyl)-2-(ethylsulfanyl)-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STL200323
SMILES CCSc1nn2c(n1)NC(=C(C2c1ccccc1)C(=O)Nc1ccc(cc1)Cl)C
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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 C21H20ClN5OS MW 425.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5OS/c1-3-29-21-25-20-23-13(2)17(19(28)24-16-11-9-15(22)10-12-16)18(27(20)26-21)14-7-5-4-6-8-14/h4-12,18H,3H2,1-2H3,(H,24,28)(H,23,25,26)InChIKey
GJVPVDKHOVADBX-UHFFFAOYSA-NSynonyms
CCSC1=NC2=NC(=C(C(N2N1)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl)C
InChI=1SC21H20ClN5OSc13292125202313(2)17(19(28)241611915(22)101216)18(27(20)2621)147546814h41218H3H212H3(H2428)(H232526)
MFCD24858138
N(4chlorophenyl)2(ethylsulfanyl)5methyl7phenyl47dihydro(124)triazolo(15a)pyrimidine6carboxamide
N(4chlorophenyl)2ethylsulfanyl5methyl7phenyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
ZINC000080324648
ZINC000080324650
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