Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK556083
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)cc(c1O)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 C17H16BrN9O4S2 MW 554.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrN9O4S2/c1-30-11-5-8(4-9(18)13(11)28)6-21-23-16(29)12-10(7-33-17-20-2-3-32-17)27(26-22-12)15-14(19)24-31-25-15/h4-6,28H,2-3,7H2,1H3,(H2,19,24)(H,23,29)/b21-6+InChIKey
QXULBPMEALMZSG-AERZKKPOSA-NSynonyms
(E)1(4amino125oxadiazol3yl)N(3bromo4hydroxy5methoxybenzylidene)5(((45dihydrothiazol2yl)thio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3bromo4hydroxy5methoxyphenyl)methylidene)5((45dihydro13thiazol2ylsulfanyl)methyl)1H123triazole4carbohydrazide
4((E)((1(4azaniumyl125oxadiazol3yl)5(45dihydro13thiazol2ylsulfanylmethyl)triazole4carbonyl)hydrazinylidene)methyl)2bromo6methoxyphenolate
COC1=C(C(=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3(NH3+))CSC4=NCCS4)Br)(O)
COc1cc(C=NNC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)cc(c1O)Br
InChI=1SC17H16BrN9O4S2c1301158(49(18)13(11)28)6212316(29)1210(7331720233217)27(262212)1514(19)24312515h4628H237H21H3(H21924)(H2329)b216+
MFCD03340020
ZINC000102472893
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