Vitas-M small molecule compound
N-(4-chlorophenyl)-5-methyl-2-(methylsulfanyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STL200406
SMILES CSc1nc2n(n1)C(c1ccccc1)C(=C(N2)C)C(=O)Nc1ccc(cc1)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 C20H18ClN5OS MW 411.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5OS/c1-12-16(18(27)23-15-10-8-14(21)9-11-15)17(13-6-4-3-5-7-13)26-19(22-12)24-20(25-26)28-2/h3-11,17H,1-2H3,(H,23,27)(H,22,24,25)InChIKey
OFNUYQSNTDKCOG-UHFFFAOYSA-NSynonyms
CC1=C(C(N2C(=N1)N=C(N2)SC)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl
InChI=1SC20H18ClN5OSc11216(18(27)231510814(21)91115)17(136435713)2619(2212)2420(2526)282h31117H12H3(H2327)(H222425)
MFCD24858190
N(4chlorophenyl)5methyl2(methylsulfanyl)7phenyl47dihydro(124)triazolo(15a)pyrimidine6carboxamide
N(4chlorophenyl)5methyl2methylsulfanyl7phenyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
ZINC000080325182
ZINC000080325188
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