Vitas-M small molecule compound
7-chloro-4,6-dimethoxy-6'-methyl-4'-{[2-(pyridin-3-yl)-1H-benzimidazol-6-yl]amino}-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL551581
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=CC1=O)Nc1ccc2c(c1)[nH]c(n2)c1cccnc1)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 C28H23ClN4O5 MW 530.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN4O5/c1-14-9-17(31-16-6-7-18-19(10-16)33-27(32-18)15-5-4-8-30-13-15)11-22(34)28(14)26(35)23-20(36-2)12-21(37-3)24(29)25(23)38-28/h4-8,10-14,31H,9H2,1-3H3,(H,32,33)InChIKey
LJZTYACDXBOADE-UHFFFAOYSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4((2(pyridin3yl)1Hbenzo(d)imidazol5yl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
132286272
7chloro46dimethoxy5methyl3((2pyridin3yl3~(H)benzimidazol5yl)amino)spiro(1benzofuran26cyclohex2ene)13dione
7chloro46dimethoxy6methyl4((2(pyridin3yl)1Hbenzimidazol6yl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccc2c(c1)nc((nH)2)c1cccnc1)Cl
InChI=1SC28H23ClN4O5c114917(3116671819(1016)3327(3218)15548301315)1122(34)28(14)26(35)2320(362)1221(373)24(29)25(23)3828h48101431H9H213H3(H3233)
MFCD31758216
ZINC000524730510
ZINC000888089864
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