Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]phenyl}methylidene]-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STL044892
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)cc(c1OCc1ccccc1C)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 C25H24BrN9O4S2 MW 658.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrN9O4S2/c1-14-5-3-4-6-16(14)12-38-21-17(26)9-15(10-19(21)37-2)11-29-31-24(36)20-18(13-41-25-28-7-8-40-25)35(34-30-20)23-22(27)32-39-33-23/h3-6,9-11H,7-8,12-13H2,1-2H3,(H2,27,32)(H,31,36)/b29-11+InChIKey
PCULXCYQJKRFKF-VPUKRXIYSA-NSynonyms
(E)1(4amino125oxadiazol3yl)N(3bromo5methoxy4((2methylbenzyl)oxy)benzylidene)5(((45dihydrothiazol2yl)thio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo5methoxy4((2methylbenzyl)oxy)phenyl)methylidene)5((45dihydro13thiazol2ylsulfanyl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo5methoxy4((2methylphenyl)methoxy)phenyl)methylideneamino)5(45dihydro13thiazol2ylsulfanylmethyl)triazole4carboxamide
CC1=CC=CC=C1COC2=C(C=C(C=C2Br)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)CSC5=NCCS5)OC
COc1cc(C=NNC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)cc(c1OCc1ccccc1C)Br
InChI=1SC25H24BrN9O4S2c114534616(14)12382117(26)915(1019(21)372)11293124(36)2018(13412528784025)35(343020)2322(27)32393323h36911H781213H212H3(H22732)(H3136)b2911+
MFCD03340001
ZINC000097969453
ZINC150607554
Check stock
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