Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methylpiperidin-1-yl)methyl]-N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK996337
SMILES CSc1ccc(cc1)/C=N/NC(=O)c1nnn(c1CN1CCC(CC1)C)c1nonc1N
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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 C20H25N9O2S MW 455.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N9O2S/c1-13-7-9-28(10-8-13)12-16-17(23-27-29(16)19-18(21)25-31-26-19)20(30)24-22-11-14-3-5-15(32-2)6-4-14/h3-6,11,13H,7-10,12H2,1-2H3,(H2,21,25)(H,24,30)/b22-11+InChIKey
MRCQQVUWHNSSLK-SSDVNMTOSA-NSynonyms
1(4amino125oxadiazol3yl)5((4methylpiperidin1yl)methyl)N((E)(4(methylsulfanyl)phenyl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5((4methylpiperidin1yl)methyl)N((E)(4methylsulfanylphenyl)methylideneamino)triazole4carboxamide
CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=C(C=C4)SC
CSc1ccc(cc1)C=NNC(=O)c1nnn(c1CN1CCC(CC1)C)c1nonc1N
InChI=1SC20H25N9O2Sc1137928(10813)121617(232729(16)1918(21)25312619)20(30)242211143515(322)6414h361113H71012H212H3(H22125)(H2430)b2211+
MFCD03324666
ZINC000051331026
ZINC102978881
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