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-({3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
Catalog ID
STL551647
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1onc(n1)c1ccc(cc1)N(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 C37H37ClN4O10 MW 733.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H37ClN4O10/c1-18-13-24(44)30(34(46)37(18)35(47)31-26(49-5)16-27(50-6)32(38)33(31)51-37)22(20-9-12-23(43)25(14-20)48-4)15-28(45)39-17-29-40-36(41-52-29)19-7-10-21(11-8-19)42(2)3/h7-12,14,16,18,22,43,46H,13,15,17H2,1-6H3,(H,39,45)/t18-,22?,37+/mInChIKey
LQAPVALTDOSOFS-AMFZUPAESA-NSynonyms
135640010
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N((3(4(dimethylamino)phenyl)124oxadiazol5yl)methyl)3(4hydroxy3methoxyphenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)((3(4(dimethylamino)phenyl)124oxadiazol5yl)methyl)3(4hydroxy3methoxyphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N((3(4(DIMETHYLAMINO)PHENYL)124OXADIAZOL5YL)METHYL)3(4HYDROXY3METHOXYP
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N((3(4(dimethylamino)phenyl)124oxadiazol5yl)methyl)3(4hydroxy3methoxyphenyl)propanamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1onc(n1)c1ccc(cc1)N(C)C
InChI=1SC37H37ClN4O10c1181324(44)30(34(46)37(18)35(47)3126(495)1627(506)32(38)33(31)5137)22(2091223(43)25(1420)484)1528(45)3917294036(415229)1971021(11819)42(2)3h712141618224346H131517H216H3(H3945)t1822?37+m1s1
ZINC001547139189
ZINC001547139191
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