Vitas-M small molecule compound
N-{[5-(1-acetylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]methyl}-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]-3-(4-hydroxy-3-methoxyphenyl)propanamide
Catalog ID
STL552517
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1noc(n1)C1CN(C1)C(=O)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 C34H35ClN4O11 MW 711.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35ClN4O11/c1-15-8-21(42)27(31(44)34(15)32(45)28-23(47-4)11-24(48-5)29(35)30(28)49-34)19(17-6-7-20(41)22(9-17)46-3)10-26(43)36-12-25-37-33(50-38-25)18-13-39(14-18)16(2)40/h6-7,9,11,15,18-19,41,44H,8,10,12-14H2,1-5H3,(H,36,43)/t15-,19?,34+/m1/sInChIKey
WSBUWMKHJAWIEL-UDYVQNAASA-NSynonyms
~(N)((5(1acetylazetidin3yl)124oxadiazol3yl)methyl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)propanamide
132352268
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1noc(n1)C1CN(C1)C(=O)C
InChI=1SC34H35ClN4O11c115821(42)27(31(44)34(15)32(45)2823(474)1124(485)29(35)30(28)4934)19(176720(41)22(917)463)1026(43)3612253733(503825)181339(1418)16(2)40h679111518194144H8101214H215H3(H3643)t1519?34+m1s1
N((5(1acetylazetidin3yl)124oxadiazol3yl)methyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
N((5(1ACETYLAZETIDIN3YL)124OXADIAZOL3YL)METHYL)3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4HYDROXY3METHOXYPHE
N((5(1acetylazetidin3yl)124oxadiazol3yl)methyl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)propanamide
ZINC000824596484
ZINC000824596485
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