Vitas-M small molecule compound
(5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-{[(pyridin-3-ylmethyl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione
Catalog ID
STL038156
SMILES COc1cc(CCN2C(=O)N=C(/C(=C\NCc3cccnc3)/C2=O)O)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 C21H22N4O5 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5/c1-29-17-6-5-14(10-18(17)30-2)7-9-25-20(27)16(19(26)24-21(25)28)13-23-12-15-4-3-8-22-11-15/h3-6,8,10-11,13,23H,7,9,12H2,1-2H3,(H,24,26,28)/b16-13+InChIKey
PFECLHMPDMURHL-DTQAZKPQSA-NSynonyms
(5E)1(2(34DIMETHOXYPHENYL)ETHYL)5((PYRIDIN3YLMETHYLAMINO)METHYLIDENE)13DIAZINANE246TRIONE
(5E)3(2(34dimethoxyphenyl)ethyl)6hydroxy5(((pyridin3ylmethyl)amino)methylidene)pyrimidine24(3H5H)dione
COC1=C(C=C(C=C1)CCN2C(=O)C(=CNCC3=CN=CC=C3)C(=O)NC2=O)OC
COc1cc(CCN2C(=O)N=C(C(=CNCc3cccnc3)C2=O)O)ccc1OC
InChI=1SC21H22N4O5c129176514(1018(17)302)792520(27)16(19(26)2421(25)28)13231215438221115h36810111323H7912H212H3(H242628)b1613+
MFCD04077658
ZINC000005845361
ZINC05845361
ZINC5845361
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