Vitas-M small molecule compound
N-[(E)-(3-bromo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}phenyl)methylidene]-4H-1,2,4-triazol-4-amine
Catalog ID
STK045623
SMILES C=CCc1ccccc1OCCOc1c(Br)cc(cc1OC)/C=N/n1cnnc1
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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 C21H21BrN4O3 MW 457.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN4O3/c1-3-6-17-7-4-5-8-19(17)28-9-10-29-21-18(22)11-16(12-20(21)27-2)13-25-26-14-23-24-15-26/h3-5,7-8,11-15H,1,6,9-10H2,2H3/b25-13+InChIKey
NMZAPLFXMAJDOT-DHRITJCHSA-NSynonyms
(E)1(3bromo5methoxy4(2(2prop2enylphenoxy)ethoxy)phenyl)N(124triazol4yl)methanimine
1(3BROMO5METHOXY4(2(2PROP2ENYLPHENOXY)ETHOXY)PHENYL)N(124TRIAZOL4YL)METHANIMINE
C=CCc1ccccc1OCCOc1c(Br)cc(cc1OC)C=Nn1cnnc1
COC1=C(C(=CC(=C1)C=NN2C=NN=C2)Br)OCCOC3=CC=CC=C3CC=C
InChI=1SC21H21BrN4O3c13617745819(17)28910292118(22)1116(1220(21)272)1325261423241526h35781115H16910H22H3b2513+
MFCD02218231
N((E)(3BROMO5METHOXY4(2(2(PROP2EN1YL)PHENOXY)ETHOXY)PHENYL)METHYLIDENE)4H124TRIAZOL4AMINE
STK045623
ZINC000002958810
ZINC2958809
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