Vitas-M small molecule compound
2-(benzylsulfanyl)-7-(4-bromophenyl)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Catalog ID
STL200335
SMILES Brc1ccc(cc1)C1C(=C(C)Nc2n1nc(n2)SCc1ccccc1)C(=O)Nc1ccccc1
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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 C26H22BrN5OS MW 532.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrN5OS/c1-17-22(24(33)29-21-10-6-3-7-11-21)23(19-12-14-20(27)15-13-19)32-25(28-17)30-26(31-32)34-16-18-8-4-2-5-9-18/h2-15,23H,16H2,1H3,(H,29,33)(H,28,30,31)InChIKey
QEEUKGRDUDXYGT-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)7(4bromophenyl)5methylNphenyl47dihydro(124)triazolo(15a)pyrimidine6carboxamide
2benzylsulfanyl7(4bromophenyl)5methylNphenyl17dihydro(124)triazolo(15a)pyrimidine6carboxamide
CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)Br)C(=O)NC5=CC=CC=C5
InChI=1SC26H22BrN5OSc11722(24(33)2921106371121)23(19121420(27)151319)3225(2817)3026(3132)3416188425918h21523H16H21H3(H2933)(H283031)
MFCD08782413
ZINC000101071082
ZINC000101071084
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