Vitas-M small molecule compound
2-[(2R,6'R)-7-chloro-4,6-dimethoxy-2'-(4-methoxyphenyl)-6'-methyl-3,4'-dioxo-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]-N-{[5-(5-oxopyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}acetamide
Catalog ID
STL561746
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NCc1noc(n1)C1CCC(=O)N1)C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
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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 C34H31ClN4O10 MW 691.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31ClN4O10/c1-15-11-21-26(31(42)34(15)32(43)27-20(45-3)13-22(46-4)28(35)30(27)48-34)18(29(47-21)16-5-7-17(44-2)8-6-16)12-25(41)36-14-23-38-33(49-39-23)19-9-10-24(40)37-19/h5-8,13,15,19H,9-12,14H2,1-4H3,(H,36,41)(H,37,40)/t15-,19?,34+/m1/s1InChIKey
YDPCYDNHSCBEMR-UDYVQNAASA-NSynonyms
145705102
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N((5(5oxopyrrolidin2yl)124oxadiazol3yl)methyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N((5(5oxopyrrolidin2yl)124oxadiazol3yl)methyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N((5(5oxopyrrolidin2yl)124oxadiazol3yl)methyl)acetamide
COc1ccc(cc1)c1oc2c(c1CC(=O)NCc1noc(n1)C1CCC(=O)N1)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC34H31ClN4O10c115112126(31(42)34(15)32(43)2720(453)1322(464)28(35)30(27)4834)18(29(4721)165717(442)8616)1225(41)3614233833(493923)1991024(40)3719h58131519H91214H214H3(H3641)(H3740)t1519?34+m1s1
MFCD32650811
ZINC001848443174
ZINC001848443175
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