Vitas-M small molecule compound
3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-N-{[5-(5-oxopyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL561629
SMILES COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1noc(n1)C1CCC(=O)N1
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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 C35H37ClN4O12 MW 741.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H37ClN4O12/c1-15-9-19(41)27(32(44)35(15)33(45)28-20(46-2)13-21(47-3)29(36)31(28)51-35)17(16-10-22(48-4)30(50-6)23(11-16)49-5)12-26(43)37-14-24-39-34(52-40-24)18-7-8-25(42)38-18/h10-11,13,15,17-18,44H,7-9,12,14H2,1-6H3,(H,37,43)(H,38,42)/t15-,1InChIKey
CJPPNMIORYQRGB-ODTWYQOZSA-NSynonyms
145704986
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N((5(5oxopyrrolidin2yl)124oxadiazol3yl)methyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N((5(5oxopyrrolidin2yl)124oxadiazol3yl)methyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N((5(5OXOPYRROLIDIN2YL)124OXADIAZOL3YL)METHYL)3(345TRIMETHOXYPHENYL)
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N((5(5oxopyrrolidin2yl)124oxadiazol3yl)methyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1noc(n1)C1CCC(=O)N1
InChI=1SC35H37ClN4O12c115919(41)27(32(44)35(15)33(45)2820(462)1321(473)29(36)31(28)5135)17(161022(484)30(506)23(1116)495)1226(43)3714243934(524024)187825(42)3818h10111315171844H791214H216H3(H3743)(H3842)t1517?18?35+m1s1
MFCD32650694
ZINC001848442626
ZINC001848442629
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