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-{1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)propyl}acetamide
Catalog ID
STL561476
SMILES CSCCC(c1onc(n1)c1ccco1)NC(=O)Cc1c(oc2c1C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)c1ccc(cc1)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 C37H34ClN3O10S MW 748.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H34ClN3O10S/c1-18-15-25-28(33(43)37(18)34(44)29-24(46-3)17-26(47-4)30(38)32(29)50-37)21(31(49-25)19-8-10-20(45-2)11-9-19)16-27(42)39-22(12-14-52-5)36-40-35(41-51-36)23-7-6-13-48-23/h6-11,13,17-18,22H,12,14-16H2,1-5H3,(H,39,42)/t18-,22?,37+/m1/InChIKey
OHXWITUGLRTHEO-AMFZUPAESA-NSynonyms
145704834
2((2R6R)7CHLORO46DIMETHOXY2(4METHOXYPHENYL)6METHYL34DIOXO67DIHYDRO3H4H25SPIROBI((1)BENZOFURAN)3YL)N(1(3(FURAN2YL)124OXADIAZOL5YL)3(METHYLSULFANYL)PROPYL
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N(1(3(furan2yl)124oxadiazol5yl)3(methylsulfanyl)propyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N(1(3(furan2yl)124oxadiazol5yl)3(methylthio)propyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N(1(3(furan2yl)124oxadiazol5yl)3methylsulfanylpropyl)acetamide
CSCCC(c1onc(n1)c1ccco1)NC(=O)Cc1c(oc2c1C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)c1ccc(cc1)OC
InChI=1SC37H34ClN3O10Sc118152528(33(43)37(18)34(44)2924(463)1726(474)30(38)32(29)5037)21(31(4925)1981020(452)11919)1627(42)3922(1214525)364035(415136)2376134823h61113171822H121416H215H3(H3942)t1822?37+m1s1
MFCD32650542
ZINC001848442910
ZINC001848442911
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