Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-5-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}methylidene]-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL046355
SMILES CCOc1cc(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)cc(c1OCc1cccc(c1)C)Br
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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 C26H26BrN9O4S2 MW 672.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrN9O4S2/c1-3-38-20-11-17(10-18(27)22(20)39-13-16-6-4-5-15(2)9-16)12-30-32-25(37)21-19(14-42-26-29-7-8-41-26)36(35-31-21)24-23(28)33-40-34-24/h4-6,9-12H,3,7-8,13-14H2,1-2H3,(H2,28,33)(H,32,37)/b30-12+InChIKey
VCZAUAAQIDXMOW-PNQUVVCRSA-NSynonyms
(E)1(4amino125oxadiazol3yl)N(3bromo5ethoxy4((3methylbenzyl)oxy)benzylidene)5(((45dihydrothiazol2yl)thio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo5ethoxy4((3methylbenzyl)oxy)phenyl)methylidene)5((45dihydro13thiazol2ylsulfanyl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo5ethoxy4((3methylphenyl)methoxy)phenyl)methylideneamino)5(45dihydro13thiazol2ylsulfanylmethyl)triazole4carboxamide
CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NCCS4)Br)OCC5=CC=CC(=C5)C
CCOc1cc(C=NNC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)cc(c1OCc1cccc(c1)C)Br
InChI=1SC26H26BrN9O4S2c1338201117(1018(27)22(20)39131664515(2)916)12303225(37)2119(14422629784126)36(353121)2423(28)33403424h46912H3781314H212H3(H22833)(H3237)b3012+
MFCD03340151
ZINC000097969514
ZINC150595902
Check stock
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