Vitas-M small molecule compound
4-{(E)-[(2-hydroxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)imino]methyl}-2,6-dimethoxyphenyl acetate
Catalog ID
STK604788
SMILES COc1cc(/C=N/n2c(O)nc3c(c2=O)[nH]c2c3cccc2)cc(c1OC(=O)C)OC
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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 C21H18N4O6 MW 422.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O6/c1-11(26)31-19-15(29-2)8-12(9-16(19)30-3)10-22-25-20(27)18-17(24-21(25)28)13-6-4-5-7-14(13)23-18/h4-10,23H,1-3H3,(H,24,28)/b22-10+InChIKey
MZTUZTJPCLVCGC-LSHDLFTRSA-NSynonyms
387352-21-8(4((E)(24DIOXO15DIHYDROPYRIMIDO(54B)INDOL3YL)IMINOMETHYL)26DIMETHOXYPHENYL)ACETATE
387352218
4((E)((2hydroxy4oxo45dihydro3Hpyrimido(54b)indol3yl)imino)methyl)26dimethoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1OC)C=NN2C(=O)C3=C(C4=CC=CC=C4N3)NC2=O)OC
COc1cc(C=Nn2c(O)nc3c(c2=O)(nH)c2c3cccc2)cc(c1OC(=O)C)OC
InChI=1SC21H18N4O6c111(26)311915(292)812(916(19)303)10222520(27)1817(2421(25)28)13645714(13)2318h41023H13H3(H2428)b2210+
MFCD08736284
ZINC000008743633
ZINC2413557
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