Vitas-M small molecule compound
3-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-6-(3,4-dimethoxybenzyl)-1,2,4-triazin-5(2H)-one
Catalog ID
STL298465
SMILES COc1cc(ccc1OC)Cc1n[nH]c(nc1=O)N/N=C/C(=C/c1ccccc1)/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 C21H20BrN5O3 MW 470.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN5O3/c1-29-18-9-8-15(12-19(18)30-2)11-17-20(28)24-21(27-25-17)26-23-13-16(22)10-14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H2,24,26,27,28)/b16-10-,23-13+InChIKey
WJDFXTYOBLAVKJ-AUZYXHAQSA-NSynonyms
350843-79-73((2E)2((2Z)2bromo3phenylprop2en1ylidene)hydrazinyl)6(34dimethoxybenzyl)124triazin5(2H)one
3((2E)2((Z)2bromo3phenylprop2enylidene)hydrazinyl)6((34dimethoxyphenyl)methyl)2H124triazin5one
3((E)2((Z)2bromo3phenylallylidene)hydrazinyl)6(34dimethoxybenzyl)124triazin5(2H)one
350843797
COC1=C(C=C(C=C1)CC2=NNC(=NC2=O)NN=CC(=CC3=CC=CC=C3)Br)OC
COc1cc(ccc1OC)Cc1n(nH)c(nc1=O)NN=CC(=Cc1ccccc1)Br
InChI=1SC21H20BrN5O3c129189815(1219(18)302)111720(28)2421(272517)26231316(22)10146435714h3101213H11H212H3(H224262728)b16102313+
MFCD01956782
ZINC000009339674
ZINC97405274
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