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-methyl-1,2,4-oxadiazol-5-yl)-3-(methylsulfanyl)propyl]acetamide

Catalog ID
STL561663
SMILES CSCCC(c1onc(n1)C)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 C34H34ClN3O9S MW 696.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34ClN3O9S/c1-16-13-23-26(31(40)34(16)32(41)27-22(43-4)15-24(44-5)28(35)30(27)46-34)20(29(45-23)18-7-9-19(42-3)10-8-18)14-25(39)37-21(11-12-48-6)33-36-17(2)38-47-33/h7-10,15-16,21H,11-14H2,1-6H3,(H,37,39)/t16-,21?,34+/m1/s1
InChIKey
KAKCVYCAGYKILW-VTAQHDQZSA-N
Synonyms

145705020
2((2R6R)7CHLORO46DIMETHOXY2(4METHOXYPHENYL)6METHYL34DIOXO67DIHYDRO3H4H25SPIROBI((1)BENZOFURAN)3YL)N(1(3METHYL124OXADIAZOL5YL)3(METHYLSULFANYL)PROPYL)ACETA
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N(1(3methyl124oxadiazol5yl)3(methylsulfanyl)propyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N(1(3methyl124oxadiazol5yl)3(methylthio)propyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N(1(3methyl124oxadiazol5yl)3methylsulfanylpropyl)acetamide
CSCCC(c1onc(n1)C)NC(=O)Cc1c(oc2c1C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)c1ccc(cc1)OC
InChI=1SC34H34ClN3O9Sc116132326(31(40)34(16)32(41)2722(434)1524(445)28(35)30(27)4634)20(29(4523)187919(423)10818)1425(39)3721(1112486)333617(2)384733h710151621H1114H216H3(H3739)t1621?34+m1s1
MFCD32650728
ZINC001848442810
ZINC001848442811

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Available files

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