Vitas-M small molecule compound
(2S,6'R)-4'-[(1-benzylpiperidin-4-yl)amino]-7-chloro-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL551292
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NC1CCN(CC1)Cc1ccccc1)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 C28H31ClN2O5 MW 511.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31ClN2O5/c1-17-13-20(30-19-9-11-31(12-10-19)16-18-7-5-4-6-8-18)14-23(32)28(17)27(33)24-21(34-2)15-22(35-3)25(29)26(24)36-28/h4-8,14-15,17,19,30H,9-13,16H2,1-3H3/t17-,28+/m1/s1InChIKey
XNPZNKZVMBPJQO-UULLZXFKSA-NSynonyms
(1S6R)4((1benzylpiperidin4yl)amino)7chloro46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))3((1benzylpiperidin4yl)amino)7chloro46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)4((1benzylpiperidin4yl)amino)7chloro46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253175
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NC1CCN(CC1)Cc1ccccc1)Cl
InChI=1SC28H31ClN2O5c1171320(301991131(121019)16187546818)1423(32)28(17)27(33)2421(342)1522(353)25(29)26(24)3628h481415171930H91316H213H3t1728+m1s1
ZINC000604406160
ZINC604406160
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