Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-({3-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]propyl}amino)-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550651
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCCCc1onc(n1)C(C)C)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 C24H28ClN3O6 MW 489.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28ClN3O6/c1-12(2)23-27-18(34-28-23)7-6-8-26-14-9-13(3)24(17(29)10-14)22(30)19-15(31-4)11-16(32-5)20(25)21(19)33-24/h10-13,26H,6-9H2,1-5H3/t13-,24+/m1/s1InChIKey
YYXIHGYAYOLVRH-OZAJXLCCSA-NSynonyms
(1S6R)7chloro4((3(3isopropyl124oxadiazol5yl)propyl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy5methyl3(3(3propan2yl124oxadiazol5yl)propylamino)spiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4((3(3(propan2yl)124oxadiazol5yl)propyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253852
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCCCc1onc(n1)C(C)C)Cl
InChI=1SC24H28ClN3O6c112(2)232718(342823)7682614913(3)24(17(29)1014)22(30)1915(314)1116(325)20(25)21(19)3324h101326H69H215H3t1324+m1s1
ZINC000604405320
ZINC604405320
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