Vitas-M small molecule compound
N-[(E)-{3-bromo-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl}methylidene]-4H-1,2,4-triazol-4-amine
Catalog ID
STK095152
SMILES COc1cc(/C=N/n2cnnc2)cc(c1OCCOc1ccc(c(c1)C)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 C20H21BrN4O3 MW 445.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN4O3/c1-14-4-5-17(8-15(14)2)27-6-7-28-20-18(21)9-16(10-19(20)26-3)11-24-25-12-22-23-13-25/h4-5,8-13H,6-7H2,1-3H3/b24-11+InChIKey
WIWPHJRCWDTVLH-BHGWPJFGSA-NSynonyms
(E)1(3bromo4(2(34dimethylphenoxy)ethoxy)5methoxyphenyl)N(124triazol4yl)methanimine
CC1=C(C=C(C=C1)OCCOC2=C(C=C(C=C2Br)C=NN3C=NN=C3)OC)C
COc1cc(C=Nn2cnnc2)cc(c1OCCOc1ccc(c(c1)C)C)Br
InChI=1SC20H21BrN4O3c1144517(815(14)2)2767282018(21)916(1019(20)263)1124251222231325h45813H67H213H3b2411+
MFCD03033479
N((E)(3BROMO4(2(34DIMETHYLPHENOXY)ETHOXY)5METHOXYPHENYL)METHYLIDENE)4H124TRIAZOL4AMINE
STK095152
ZINC000009730618
ZINC35074783
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