Vitas-M small molecule compound
3-(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-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfonyl)propyl}-3-[4-(methylsulfanyl)phenyl]propanamide
Catalog ID
STL551918
SMILES CSc1ccc(cc1)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC(c1onc(n1)c1ccco1)CCS(=O)(=O)C
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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 C36H36ClN3O11S2 MW 786.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36ClN3O11S2/c1-18-15-23(41)28(32(43)36(18)33(44)29-25(47-2)17-26(48-3)30(37)31(29)50-36)21(19-8-10-20(52-4)11-9-19)16-27(42)38-22(12-14-53(5,45)46)35-39-34(40-51-35)24-7-6-13-49-24/h6-11,13,17-18,21-22,43H,12,14-16H2,1-5H3,(H,38,42)InChIKey
IUPZGAKOQCBXNA-UHFFFAOYSA-NSynonyms
135640240
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(1(3(furan2yl)124oxadiazol5yl)3(methylsulfonyl)propyl)3(4(methylthio)phenyl)propanamide
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(1(3(furan2yl)124oxadiazol5yl)3methylsulfonylpropyl)3(4methylsulfanylphenyl)propanamide
3(7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(1(3(FURAN2YL)124OXADIAZOL5YL)3(METHYLSULFONYL)PROPYL)3(4(METHYLSULFANYL)PHE
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(1(3(furan2yl)124oxadiazol5yl)3(methylsulfonyl)propyl)3(4(methylsulfanyl)phenyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC(c1onc(n1)c1ccco1)CCS(=O)(=O)C
InChI=1SC36H36ClN3O11S2c1181523(41)28(32(43)36(18)33(44)2925(472)1726(483)30(37)31(29)5036)21(1981020(524)11919)1627(42)3822(121453(545)46)353934(405135)2476134924h611131718212243H121416H215H3(H3842)
MFCD31758302
ZINC001547138977
ZINC001772492873
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