Vitas-M small molecule compound

(2E)-1-(3-amino-1H-1,2,4-triazol-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one

Catalog ID
STK435223
SMILES COc1cc(/C=C/C(=O)n2cnc(n2)N)ccc1OC

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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 C13H14N4O3 MW 274.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O3/c1-19-10-5-3-9(7-11(10)20-2)4-6-12(18)17-8-15-13(14)16-17/h3-8H,1-2H3,(H2,14,16)/b6-4+
InChIKey
SULYSTWWMCWCMZ-GQCTYLIASA-N
Synonyms

(2E)1(3AMINO(124TRIAZOLYL))3(34DIMETHOXYPHENYL)PROP2EN1ONE
(2E)1(3amino1H124triazol1yl)3(34dimethoxyphenyl)prop2en1one
(E)1(3AMINO124TRIAZOL1YL)3(34DIMETHOXYPHENYL)PROP2EN1ONE
COC1=C(C=C(C=C1)C=CC(=O)N2C=NC(=N2)N)OC
COc1cc(C=CC(=O)n2cnc(n2)N)ccc1OC
InChI=1SC13H14N4O3c11910539(711(10)202)4612(18)1781513(14)1617h38H12H3(H21416)b64+
MFCD03943532
ZINC000006761857
ZINC06761857
ZINC6761857

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Available files

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