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-{[5-(5-oxopyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}propanamide
Catalog ID
STL552615
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1noc(n1)C1CCC(=O)N1
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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 C33H33ClN4O9S MW 697.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33ClN4O9S/c1-15-11-20(39)26(30(42)33(15)31(43)27-21(44-2)13-22(45-3)28(34)29(27)46-33)18(16-5-7-17(48-4)8-6-16)12-25(41)35-14-23-37-32(47-38-23)19-9-10-24(40)36-19/h5-8,13,15,18-19,42H,9-12,14H2,1-4H3,(H,35,41)(H,36,40)/t15-,18?,19?,33+/m1/s1InChIKey
CIFQKOFAHPZSCU-ONKGGJLKSA-NSynonyms
135640821
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)N((5(5oxopyrrolidin2yl)124oxadiazol3yl)methyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)((5(5oxopyrrolidin2yl)124oxadiazol3yl)methyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4(METHYLSULFANYL)PHENYL)N((5(5OXOPYRROLIDIN2YL)124OXADIAZOL3YL)METHY
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N((5(5oxopyrrolidin2yl)124oxadiazol3yl)methyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1noc(n1)C1CCC(=O)N1
InChI=1SC33H33ClN4O9Sc1151120(39)26(30(42)33(15)31(43)2721(442)1322(453)28(34)29(27)4633)18(165717(484)8616)1225(41)3514233732(473823)1991024(40)3619h581315181942H91214H214H3(H3541)(H3640)t1518?19?33+m1s1
ZINC001547138227
ZINC001547138230
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