Vitas-M small molecule compound
(2S,6'R)-7-chloro-4'-{[2-hydroxy-3-(propan-2-yloxy)propyl]amino}-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550859
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCC(COC(C)C)O)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 C22H28ClNO7 MW 453.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28ClNO7/c1-11(2)30-10-14(25)9-24-13-6-12(3)22(17(26)7-13)21(27)18-15(28-4)8-16(29-5)19(23)20(18)31-22/h7-8,11-12,14,24-25H,6,9-10H2,1-5H3/t12-,14?,22+/m1/s1InChIKey
QMMCFODLVOITAB-OAEHUPAASA-NSynonyms
(1S6R)7chloro4((2hydroxy3isopropoxypropyl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro3((2hydroxy3propan2yloxypropyl)amino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4((2hydroxy3(propan2yloxy)propyl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253301
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCC(COC(C)C)O)Cl
InChI=1SC22H28ClNO7c111(2)301014(25)92413612(3)22(17(26)713)21(27)1815(284)816(295)19(23)20(18)3122h781112142425H6910H215H3t1214?22+m1s1
ZINC000604405563
ZINC000604405564
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