Vitas-M small molecule compound
7-chloro-4,6-dimethoxy-6'-methyl-4'-{[2-(7H-purin-6-ylamino)ethyl]amino}-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550670
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=CC1=O)NCCNc1ncnc2c1[nH]cn2)Cl
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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 C23H23ClN6O5 MW 498.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN6O5/c1-11-6-12(25-4-5-26-21-18-22(28-9-27-18)30-10-29-21)7-15(31)23(11)20(32)16-13(33-2)8-14(34-3)17(24)19(16)35-23/h7-11,25H,4-6H2,1-3H3,(H2,26,27,28,29,30)InChIKey
PPYOBROUUHFSSY-UHFFFAOYSA-NSynonyms
(1S6R)4((2((9Hpurin6yl)amino)ethyl)amino)7chloro46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
132286492
7chloro46dimethoxy5methyl3(2(7~(H)purin6ylamino)ethylamino)spiro(1benzofuran26cyclohex2ene)13dione
7chloro46dimethoxy6methyl4((2(7Hpurin6ylamino)ethyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCCNc1ncnc2c1nc(nH)2)Cl
InChI=1SC23H23ClN6O5c111612(254526211822(2892718)30102921)715(31)23(11)20(32)1613(332)814(343)17(24)19(16)3523h71125H46H213H3(H22627282930)
MFCD31757709
ZINC000604404564
ZINC000888090721
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