Vitas-M small molecule compound
(2S,6'R)-7-chloro-4'-{[1-(ethylsulfonyl)piperidin-4-yl]amino}-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL550026
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)NC1CCN(CC1)S(=O)(=O)CC)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 C23H29ClN2O7S MW 513.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29ClN2O7S/c1-5-34(29,30)26-8-6-14(7-9-26)25-15-10-13(2)23(18(27)11-15)22(28)19-16(31-3)12-17(32-4)20(24)21(19)33-23/h11-14,25H,5-10H2,1-4H3/t13-,23+/m1/s1InChIKey
COEWNCXURVKTAZ-ZLOXQWCVSA-NSynonyms
(1S6R)7chloro4((1(ethylsulfonyl)piperidin4yl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro3((1ethylsulfonylpiperidin4yl)amino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4((1(ethylsulfonyl)piperidin4yl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253688
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)NC1CCN(CC1)S(=O)(=O)CC)Cl
InChI=1SC23H29ClN2O7Sc1534(2930)268614(7926)25151013(2)23(18(27)1115)22(28)1916(313)1217(324)20(24)21(19)3323h111425H510H214H3t1323+m1s1
ZINC000604403896
ZINC604403896
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