Vitas-M small molecule compound
(2S,6'R)-7-chloro-4'-{[3-(dimethylamino)propyl]amino}-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550213
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NCCCN(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 C21H27ClN2O5 MW 422.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN2O5/c1-12-9-13(23-7-6-8-24(2)3)10-16(25)21(12)20(26)17-14(27-4)11-15(28-5)18(22)19(17)29-21/h10-12,23H,6-9H2,1-5H3/t12-,21+/m1/s1InChIKey
JPZOHUZDWZQROK-GTJPDFRWSA-NSynonyms
(1S6R)7chloro4((3(dimethylamino)propyl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro3(3(dimethylamino)propylamino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4((3(dimethylamino)propyl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253975
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NCCCN(C)C)Cl
InChI=1SC21H27ClN2O5c112913(2376824(2)3)1016(25)21(12)20(26)1714(274)1115(285)18(22)19(17)2921h101223H69H215H3t1221+m1s1
ZINC000604406329
ZINC604406329
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