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]-3-[4-(methylsulfanyl)phenyl]-N-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}propanamide
Catalog ID
STL551671
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1onc(n1)c1ccccn1
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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 C35H33ClN4O8S MW 705.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H33ClN4O8S/c1-18-15-23(41)28(32(43)35(18)33(44)29-24(45-2)17-25(46-3)30(36)31(29)47-35)21(19-8-10-20(49-4)11-9-19)16-26(42)38-14-12-27-39-34(40-48-27)22-7-5-6-13-37-22/h5-11,13,17-18,21,43H,12,14-16H2,1-4H3,(H,38,42)/t18-,21?,35+/m1/s1InChIKey
QLXWJIONKVSPAK-YKKOPPFRSA-NSynonyms
135640032
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)N(2(3(pyridin2yl)124oxadiazol5yl)ethyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(2(3pyridin2yl124oxadiazol5yl)ethyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4(METHYLSULFANYL)PHENYL)N(2(3(PYRIDIN2YL)124OXADIAZOL5YL)ETHYL)PROPA
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(2(3(pyridin2yl)124oxadiazol5yl)ethyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1onc(n1)c1ccccn1
InChI=1SC35H33ClN4O8Sc1181523(41)28(32(43)35(18)33(44)2924(452)1725(463)30(36)31(29)4735)21(1981020(494)11919)1626(42)381412273934(404827)22756133722h5111317182143H121416H214H3(H3842)t1821?35+m1s1
ZINC001547139463
ZINC001547139464
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