Vitas-M small molecule compound

(2S,6'R)-7-chloro-4'-{[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-(methylsulfanyl)propyl]amino}-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione

Catalog ID
STL549675
SMILES CSCCC(c1onc(n1)C1CC1)NC1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)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 C25H28ClN3O6S MW 534.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClN3O6S/c1-12-9-14(27-15(7-8-36-4)24-28-23(29-35-24)13-5-6-13)10-18(30)25(12)22(31)19-16(32-2)11-17(33-3)20(26)21(19)34-25/h10-13,15,27H,5-9H2,1-4H3/t12-,15?,25+/m1/s1
InChIKey
RFUAXHBCMFKCME-BHWTZDTBSA-N
Synonyms

(1S6R)7chloro4((1(3cyclopropyl124oxadiazol5yl)3(methylthio)propyl)amino)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro3((1(3cyclopropyl124oxadiazol5yl)3methylsulfanylpropyl)amino)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4((1(3cyclopropyl124oxadiazol5yl)3(methylsulfanyl)propyl)amino)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127252805
CSCCC(c1onc(n1)C1CC1)NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC
InChI=1SC25H28ClN3O6Sc112914(2715(78364)242823(293524)135613)1018(30)25(12)22(31)1916(322)1117(333)20(26)21(19)3425h10131527H59H214H3t1215?25+m1s1
ZINC000604405339
ZINC000604405343

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Available files

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