Vitas-M small molecule compound
N-(4-chlorophenyl)-7-(2-fluorophenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STL200333
SMILES CSc1nc2n(n1)C(C(=C(N2)C)C(=O)Nc1ccc(cc1)Cl)c1ccccc1F
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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 C20H17ClFN5OS MW 429.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClFN5OS/c1-11-16(18(28)24-13-9-7-12(21)8-10-13)17(14-5-3-4-6-15(14)22)27-19(23-11)25-20(26-27)29-2/h3-10,17H,1-2H3,(H,24,28)(H,23,25,26)InChIKey
AKVVUAKWQBHJOH-UHFFFAOYSA-NSynonyms
CC1=C(C(N2C(=N1)N=C(N2)SC)C3=CC=CC=C3F)C(=O)NC4=CC=C(C=C4)Cl
InChI=1SC20H17ClFN5OSc11116(18(28)24139712(21)81013)17(14534615(14)22)2719(2311)2520(2627)292h31017H12H3(H2428)(H232526)
MFCD14748227
N(4chlorophenyl)7(2fluorophenyl)5methyl2(methylsulfanyl)47dihydro(124)triazolo(15a)pyrimidine6carboxamide
N(4chlorophenyl)7(2fluorophenyl)5methyl2methylsulfanyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
ZINC000009608487
ZINC000020181693
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