Vitas-M small molecule compound
(5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione
Catalog ID
STK565607
SMILES CCCCN1C(=O)N=C(/C(=C\NCc2ccc3c(c2)OCO3)/C1=O)O
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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 C17H19N3O5 MW 345.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O5/c1-2-3-6-20-16(22)12(15(21)19-17(20)23)9-18-8-11-4-5-13-14(7-11)25-10-24-13/h4-5,7,9,18H,2-3,6,8,10H2,1H3,(H,19,21,23)/b12-9+InChIKey
ZGAXVDALPCOIDD-FMIVXFBMSA-NSynonyms
(5E)5(((13benzodioxol5ylmethyl)amino)methylidene)3butyl6hydroxypyrimidine24(3H5H)dione
(5E)5((13BENZODIOXOL5YLMETHYLAMINO)METHYLIDENE)1BUTYL13DIAZINANE246TRIONE
5(1((BENZO(13)DIOXOL5YLMETHYL)AMINO)METH(E)YLIDENE)1BUTYLPYRIMIDINE246TRIONE
CCCCN1C(=O)C(=CNCC2=CC3=C(C=C2)OCO3)C(=O)NC1=O
CCCCN1C(=O)N=C(C(=CNCc2ccc3c(c2)OCO3)C1=O)O
InChI=1SC17H19N3O5c12362016(22)12(15(21)1917(20)23)918811451314(711)25102413h457918H236810H21H3(H192123)b129+
MFCD04072941
ZINC000006072979
ZINC06072979
ZINC6072979
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