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-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}propanamide

Catalog ID
STL551689
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1csc(n1)c1cccnc1

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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 C36H34ClN3O7S2 MW 720.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H34ClN3O7S2/c1-19-14-25(41)29(33(43)36(19)34(44)30-26(45-2)16-27(46-3)31(37)32(30)47-36)24(20-7-9-23(48-4)10-8-20)15-28(42)39-13-11-22-18-49-35(40-22)21-6-5-12-38-17-21/h5-10,12,16-19,24,43H,11,13-15H2,1-4H3,(H,39,42)/t19-,24?,36+/m1/s1
InChIKey
QJHFOVNFSPKDFM-PHJHLJKNSA-N
Synonyms

135640047
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)N(2(2(pyridin3yl)thiazol4yl)ethyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)(2(2pyridin3yl13thiazol4yl)ethyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4(METHYLSULFANYL)PHENYL)N(2(2(PYRIDIN3YL)13THIAZOL4YL)ETHYL)PROPANAMI
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N(2(2(pyridin3yl)13thiazol4yl)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)NCCc1csc(n1)c1cccnc1
InChI=1SC36H34ClN3O7S2c1191425(41)29(33(43)36(19)34(44)3026(452)1627(463)31(37)32(30)4736)24(207923(484)10820)1528(42)39131122184935(4022)216512381721h5101216192443H111315H214H3(H3942)t1924?36+m1s1
ZINC001547139250
ZINC001547139251

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Available files

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