Vitas-M small molecule compound
(2S,6'R)-7-chloro-2'-hydroxy-3'-{1-(4-hydroxy-3-methoxyphenyl)-3-oxo-3-[(5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]propyl}-4,6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
Catalog ID
STL553525
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CC2(CC1CC(C2)(C)C)C
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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 C36H42ClNO9 MW 668.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42ClNO9/c1-18-10-23(40)28(32(42)36(18)33(43)29-25(45-6)13-26(46-7)30(37)31(29)47-36)21(19-8-9-22(39)24(11-19)44-5)12-27(41)38-17-35(4)15-20(38)14-34(2,3)16-35/h8-9,11,13,18,20-21,39,42H,10,12,14-17H2,1-7H3/t18-,20?,21?,35?,36+/m1/s1InChIKey
TUZVWIPQWFCTFU-FXVRJQJRSA-NSynonyms
(1S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3oxo3((1R5S)133trimethyl6azabicyclo(321)octan6yl)propyl)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(2)ene)34dione
(2~(S)5~(R))7chloro3hydroxy2(1(4hydroxy3methoxyphenyl)3oxo3(133trimethyl6azabicyclo(321)octan6yl)propyl)46dimethoxy5methylspiro(1benzofuran24cyclohex2ene)13dione
(2S6R)7CHLORO2HYDROXY3(1(4HYDROXY3METHOXYPHENYL)3OXO3((5R)133TRIMETHYL6AZABICYCLO(321)OCT6YL)PROPYL)46DIMETHOXY6METHYL3H4HSPIRO(1BENZOFURAN21CYCLOHEX(2)ENE)
(2S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3oxo3((5R)133trimethyl6azabicyclo(321)oct6yl)propyl)46dimethoxy6methyl3H4Hspiro(1benzofuran21cyclohex(2)ene)34dione
135640915
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CC2(CC1CC(C2)(C)C)C
InChI=1SC36H42ClNO9c1181023(40)28(32(42)36(18)33(43)2925(456)1326(467)30(37)31(29)4736)21(198922(39)24(1119)445)1227(41)381735(4)1520(38)1434(23)1635h8911131820213942H10121417H217H3t1820?21?35?36+m1s1
ZINC001547139563
ZINC001547139564
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