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-{2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}-3-(4-hydroxy-3-methoxyphenyl)propanamide
Catalog ID
STL549477
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1onc(n1)c1ccco1
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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 C34H32ClN3O11 MW 694.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32ClN3O11/c1-16-12-20(40)27(31(42)34(16)32(43)28-23(45-3)15-24(46-4)29(35)30(28)48-34)18(17-7-8-19(39)22(13-17)44-2)14-25(41)36-10-9-26-37-33(38-49-26)21-6-5-11-47-21/h5-8,11,13,15-16,18,39,42H,9-10,12,14H2,1-4H3,(H,36,41)/t16-,18?,34+/m1/s1InChIKey
KQDVJKAHOXGTQD-XJSKBYDQSA-NSynonyms
132352439
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(3(furan2yl)124oxadiazol5yl)ethyl)3(4hydroxy3methoxyphenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(3(furan2yl)124oxadiazol5yl)ethyl)3(4hydroxy3methoxyphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(2(3(FURAN2YL)124OXADIAZOL5YL)ETHYL)3(4HYDROXY3METHOXYPHENYL)PROPAN
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(3(furan2yl)124oxadiazol5yl)ethyl)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)NCCc1onc(n1)c1ccco1
InChI=1SC34H32ClN3O11c1161220(40)27(31(42)34(16)32(43)2823(453)1524(464)29(35)30(28)4834)18(177819(39)22(1317)442)1425(41)36109263733(384926)2165114721h5811131516183942H9101214H214H3(H3641)t1618?34+m1s1
ZINC000824595887
ZINC000824595897
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