Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-{3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl}-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL552359
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)N1CC(C1)c1onc(n1)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 C26H23ClN4O6 MW 522.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN4O6/c1-13-7-16(31-11-15(12-31)25-29-24(30-37-25)14-5-4-6-28-10-14)8-19(32)26(13)23(33)20-17(34-2)9-18(35-3)21(27)22(20)36-26/h4-6,8-10,13,15H,7,11-12H2,1-3H3/t13-,26+/m1/s1InChIKey
AUFLJUCJKCNOPP-SRGMZFCMSA-NSynonyms
(1S6R)7chloro46dimethoxy6methyl4(3(3(pyridin3yl)124oxadiazol5yl)azetidin1yl)3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3(3(3pyridin3yl124oxadiazol5yl)azetidin1yl)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4(3(3(pyridin3yl)124oxadiazol5yl)azetidin1yl)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
135640607
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)N1CC(C1)c1onc(n1)c1cccnc1)Cl
InChI=1SC26H23ClN4O6c113716(311115(1231)252924(303725)14546281014)819(32)26(13)23(33)2017(342)918(353)21(27)22(20)3626h468101315H71112H213H3t1326+m1s1
ZINC001547138451
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