Vitas-M small molecule compound
{5-bromo-4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenoxy}acetonitrile
Catalog ID
STL172261
SMILES N#CCOc1cc(Br)c(cc1OC)C=C1C(=O)N(C)C(=O)N(C1=O)C
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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 C16H14BrN3O5 MW 408.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrN3O5/c1-19-14(21)10(15(22)20(2)16(19)23)6-9-7-12(24-3)13(8-11(9)17)25-5-4-18/h6-8H,5H2,1-3H3InChIKey
XUUFRNPVWDQARL-UHFFFAOYSA-NSynonyms
(5bromo4((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxyphenoxy)acetonitrile
2(5bromo4((13dimethyl246trioxo13diazinan5ylidene)methyl)2methoxyphenoxy)acetonitrile
CN1C(=O)C(=CC2=CC(=C(C=C2Br)OCC#N)OC)C(=O)N(C1=O)C
InChI=1SC16H14BrN3O5c11914(21)10(15(22)20(2)16(19)23)69712(243)13(811(9)17)255418h68H5H213H3
MFCD04047494
ZINC000002772351
ZINC02772351
ZINC2772351
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