Vitas-M small molecule compound
3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-N-{1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)propyl}-3-[4-(methylsulfanyl)phenyl]propanamide
Catalog ID
STL551979
SMILES CSCCC(c1onc(n1)c1ccccc1Cl)NC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC
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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 C38H37Cl2N3O8S2 MW 798.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H37Cl2N3O8S2/c1-19-16-26(44)30(34(46)38(19)35(47)31-27(48-2)18-28(49-3)32(40)33(31)50-38)23(20-10-12-21(53-5)13-11-20)17-29(45)41-25(14-15-52-4)37-42-36(43-51-37)22-8-6-7-9-24(22)39/h6-13,18-19,23,25,46H,14-17H2,1-5H3,(H,41,45)/t19-,23?,25?,38InChIKey
WBOHSWAARITASG-SQUAZJDBSA-NSynonyms
135640294
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(1(3(2chlorophenyl)124oxadiazol5yl)3(methylthio)propyl)3(4(methylthio)phenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(1(3(2chlorophenyl)124oxadiazol5yl)3methylsulfanylpropyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(1(3(2CHLOROPHENYL)124OXADIAZOL5YL)3(METHYLSULFANYL)PROPYL)3(4(METHY
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(1(3(2chlorophenyl)124oxadiazol5yl)3(methylsulfanyl)propyl)3(4(methylsulfanyl)phenyl)propanamide
CSCCC(c1onc(n1)c1ccccc1Cl)NC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(cc1)SC
InChI=1SC38H37Cl2N3O8S2c1191626(44)30(34(46)38(19)35(47)3127(482)1828(493)32(40)33(31)5038)23(20101221(535)131120)1729(45)4125(1415524)374236(435137)22867924(22)39h6131819232546H1417H215H3(H4145)t1923?25?38+m1s1
LSULFANYL)PHENYL)PROPANAMIDE
ZINC001547138915
ZINC001547138920
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