Vitas-M small molecule compound
(2S,6'R)-7-chloro-2'-hydroxy-3'-[1-(4-hydroxy-3-methoxyphenyl)-3-oxo-3-(8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)propyl]-4,6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
Catalog ID
STL551947
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1C[C@H]2C[C@@H](C1)C1N(C2)C(=O)CCC1
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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 C37H41ClN2O10 MW 709.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H41ClN2O10/c1-18-10-25(42)31(35(45)37(18)36(46)32-27(48-3)14-28(49-4)33(38)34(32)50-37)22(20-8-9-24(41)26(12-20)47-2)13-30(44)39-15-19-11-21(17-39)23-6-5-7-29(43)40(23)16-19/h8-9,12,14,18-19,21-23,41,45H,5-7,10-11,13,15-17H2,1-4H3/t18-,19?,21?InChIKey
MMDISPAPOQOJNW-FACKRJDYSA-NSynonyms
(1S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3oxo3(8oxohexahydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)propyl)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(2)ene)34dione
(2~(S)5~(R))7chloro3hydroxy2(1(4hydroxy3methoxyphenyl)3oxo3(6oxo711diazatricyclo(7310^(27))tridecan11yl)propyl)46dimethoxy5methylspiro(1benzofuran24cyclohex2ene)13dione
(2S6R)7CHLORO2HYDROXY3(1(4HYDROXY3METHOXYPHENYL)3OXO3(8OXOOCTAHYDRO2H15METHANOPYRIDO(12A)(15)DIAZOCIN3(4H)YL)PROPYL)46DIMETHOXY6METHYL3H4HSPIRO(1BENZOFURAN21
(2S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3oxo3(8oxooctahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propyl)46dimethoxy6methyl3H4Hspiro(1benzofuran21cyclohex(2)ene)34dione
135640267
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CC2CC(C1)C1N(C2)C(=O)CCC1
CYCLOHEX(2)ENE)34DIONE
InChI=1SC37H41ClN2O10c1181025(42)31(35(45)37(18)36(46)3227(483)1428(494)33(38)34(32)5037)22(208924(41)26(1220)472)1330(44)3915191121(1739)2365729(43)40(23)1619h891214181921234145H571011131517H214H3t1819?21?22?23?37+m1s1
ZINC001547139284
ZINC001547139290
Check stock
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