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-{3-(methylsulfanyl)-1-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]propyl}acetamide

Catalog ID
STL562071
SMILES CSCCC(c1onc(n1)c1ccccn1)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 C38H35ClN4O9S MW 759.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H35ClN4O9S/c1-19-16-26-29(34(45)38(19)35(46)30-25(48-3)18-27(49-4)31(39)33(30)51-38)22(32(50-26)20-9-11-21(47-2)12-10-20)17-28(44)41-24(13-15-53-5)37-42-36(43-52-37)23-8-6-7-14-40-23/h6-12,14,18-19,24H,13,15-17H2,1-5H3,(H,41,44)/t19-,24?,38+/m
InChIKey
ASICRXZMXFUAJV-GBARIVGVSA-N
Synonyms

145705422
2((2R6R)7CHLORO46DIMETHOXY2(4METHOXYPHENYL)6METHYL34DIOXO67DIHYDRO3H4H25SPIROBI((1)BENZOFURAN)3YL)N(3(METHYLSULFANYL)1(3(PYRIDIN2YL)124OXADIAZOL5YL)PROP
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N(3(methylsulfanyl)1(3(pyridin2yl)124oxadiazol5yl)propyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N(3(methylthio)1(3(pyridin2yl)124oxadiazol5yl)propyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N(3methylsulfanyl1(3pyridin2yl124oxadiazol5yl)propyl)acetamide
CSCCC(c1onc(n1)c1ccccn1)NC(=O)Cc1c(oc2c1C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)c1ccc(cc1)OC
InChI=1SC38H35ClN4O9Sc119162629(34(45)38(19)35(46)3025(483)1827(494)31(39)33(30)5138)22(32(5026)2091121(472)121020)1728(44)4124(1315535)374236(435237)23867144023h61214181924H131517H215H3(H4144)t1924?38+m1s1
MFCD32651125
ZINC001848443254
ZINC001848443255

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Available files

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