Vitas-M small molecule compound
N-[(E)-{3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-ethoxyphenyl}methylidene]-4H-1,2,4-triazol-4-amine
Catalog ID
STK003678
SMILES CCOc1cc(/C=N/n2cnnc2)cc(c1OCCOc1ccc(c(c1)C)C)Cl
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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 C21H23ClN4O3 MW 414.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN4O3/c1-4-27-20-11-17(12-25-26-13-23-24-14-26)10-19(22)21(20)29-8-7-28-18-6-5-15(2)16(3)9-18/h5-6,9-14H,4,7-8H2,1-3H3/b25-12+InChIKey
WCULFPBYEBMFCT-BRJLIKDPSA-NSynonyms
(E)1(3chloro4(2(34dimethylphenoxy)ethoxy)5ethoxyphenyl)N(124triazol4yl)methanimine
CCOC1=C(C(=CC(=C1)C=NN2C=NN=C2)Cl)OCCOC3=CC(=C(C=C3)C)C
CCOc1cc(C=Nn2cnnc2)cc(c1OCCOc1ccc(c(c1)C)C)Cl
InChI=1SC21H23ClN4O3c1427201117(1225261323241426)1019(22)21(20)298728186515(2)16(3)918h56914H478H213H3b2512+
MFCD03183992
N((E)(3CHLORO4(2(34DIMETHYLPHENOXY)ETHOXY)5ETHOXYPHENYL)METHYLIDENE)4H124TRIAZOL4AMINE
STK003678
ZINC000004549345
ZINC35074767
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