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-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL561606
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)NCCc1onc(n1)c1ccccn1
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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 C37H37ClN4O11 MW 749.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H37ClN4O11/c1-18-13-22(43)29(34(45)37(18)35(46)30-23(47-2)17-24(48-3)31(38)33(30)52-37)20(19-14-25(49-4)32(51-6)26(15-19)50-5)16-27(44)40-12-10-28-41-36(42-53-28)21-9-7-8-11-39-21/h7-9,11,14-15,17-18,20,45H,10,12-13,16H2,1-6H3,(H,40,44)/t18-,2InChIKey
BITFGJIWFRKUNN-IWEXEGSYSA-NSynonyms
145704963
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(3(pyridin2yl)124oxadiazol5yl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N(2(3pyridin2yl124oxadiazol5yl)ethyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(2(3(PYRIDIN2YL)124OXADIAZOL5YL)ETHYL)3(345TRIMETHOXYPHENYL)PROPANA
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(3(pyridin2yl)124oxadiazol5yl)ethyl)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)NCCc1onc(n1)c1ccccn1
InChI=1SC37H37ClN4O11c1181322(43)29(34(45)37(18)35(46)3023(472)1724(483)31(38)33(30)5237)20(191425(494)32(516)26(1519)505)1627(44)401210284136(425328)21978113921h7911141517182045H10121316H216H3(H4044)t1820?37+m1s1
MFCD32650671
ZINC001848442583
ZINC001848442584
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