Vitas-M small molecule compound
S-(5-{[(4Z)-4-(hydroxyimino)-2,5-dimethylpiperidin-1-yl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl) benzenecarbothioate
Catalog ID
STK686706
SMILES O/N=C\1/CC(C)N(CC1C)Cc1nnc(n1c1ccccc1)SC(=O)c1ccccc1
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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 C23H25N5O2S MW 435.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O2S/c1-16-14-27(17(2)13-20(16)26-30)15-21-24-25-23(28(21)19-11-7-4-8-12-19)31-22(29)18-9-5-3-6-10-18/h3-12,16-17,30H,13-15H2,1-2H3/b26-20-InChIKey
VATANKJRNTVBNT-QOMWVZHYSA-NSynonyms
CC1CC(=NO)C(CN1CC2=NN=C(N2C3=CC=CC=C3)SC(=O)C4=CC=CC=C4)C
InChI=1SC23H25N5O2Sc1161427(17(2)1320(16)2630)1521242523(28(21)19117481219)3122(29)1895361018h312161730H1315H212H3b2620
MFCD06017069
ON=C1CC(C)N(CC1C)Cc1nnc(n1c1ccccc1)SC(=O)c1ccccc1
S(5(((4Z)4(HYDROXYIMINO)25DIMETHYLPIPERIDIN1YL)METHYL)4PHENYL4H124TRIAZOL3YL)BENZENECARBOTHIOATE
S(5(((4Z)4hydroxyimino25dimethylpiperidin1yl)methyl)4phenyl124triazol3yl)benzenecarbothioate
ZINC000014944627
ZINC000014944632
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