Vitas-M small molecule compound
(2S,6'R)-7-chloro-2'-hydroxy-3'-{1-(4-hydroxy-3-methoxyphenyl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-3-oxopropyl}-4,6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
Catalog ID
STL551759
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CC(C1)c1onc(n1)C
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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 C32H32ClN3O10 MW 654.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32ClN3O10/c1-14-8-20(38)25(29(40)32(14)30(41)26-22(43-4)11-23(44-5)27(33)28(26)45-32)18(16-6-7-19(37)21(9-16)42-3)10-24(39)36-12-17(13-36)31-34-15(2)35-46-31/h6-7,9,11,14,17-18,37,40H,8,10,12-13H2,1-5H3/t14-,18?,32+/m1/s1InChIKey
RELUODUOIBFNSJ-MPSLWAQTSA-NSynonyms
(1S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3(3(3methyl124oxadiazol5yl)azetidin1yl)3oxopropyl)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(2)ene)34dione
(2~(S)5~(R))7chloro3hydroxy2(1(4hydroxy3methoxyphenyl)3(3(3methyl124oxadiazol5yl)azetidin1yl)3oxopropyl)46dimethoxy5methylspiro(1benzofuran24cyclohex2ene)13dione
(2S6R)7CHLORO2HYDROXY3(1(4HYDROXY3METHOXYPHENYL)3(3(3METHYL124OXADIAZOL5YL)AZETIDIN1YL)3OXOPROPYL)46DIMETHOXY6METHYL3H4HSPIRO(1BENZOFURAN21CYCLOHEX(2)ENE)3
(2S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3(3(3methyl124oxadiazol5yl)azetidin1yl)3oxopropyl)46dimethoxy6methyl3H4Hspiro(1benzofuran21cyclohex(2)ene)34dione
135640111
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CC(C1)c1onc(n1)C
InChI=1SC32H32ClN3O10c114820(38)25(29(40)32(14)30(41)2622(434)1123(445)27(33)28(26)4532)18(166719(37)21(916)423)1024(39)361217(1336)313415(2)354631h679111417183740H8101213H215H3t1418?32+m1s1
ZINC001547139489
ZINC001547139490
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