VITAS-M Laboratory logo VITAS‑M Laboratory COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION
Vitas-M small molecule compound

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-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]propanamide

Catalog ID
STL552404
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N[C@H](c1nc2c([nH]1)cccc2)[C@H](CC)C

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

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 C38H40ClN3O7S MW 718.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H40ClN3O7S/c1-7-19(2)33(37-40-24-10-8-9-11-25(24)41-37)42-29(44)17-23(21-12-14-22(50-6)15-13-21)30-26(43)16-20(3)38(35(30)45)36(46)31-27(47-4)18-28(48-5)32(39)34(31)49-38/h8-15,18-20,23,33,45H,7,16-17H2,1-6H3,(H,40,41)(H,42,44)/t19-,20+,23?,33
InChIKey
MBKORUWXWKWSOK-BGZFHTPYSA-N
Synonyms

~(N)((1~(S)2~(S))1(1~(H)benzimidazol2yl)2methylbutyl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)propanamide
135640644
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N(C@H)(c1nc2c((nH)1)cccc2)(C@H)(CC)C
InChI=1SC38H40ClN3O7Sc1719(2)33(37402410891125(24)4137)4229(44)1723(21121422(506)151321)3026(43)1620(3)38(35(30)45)36(46)3127(474)1828(485)32(39)34(31)4938h8151820233345H71617H216H3(H4041)(H4244)t1920+23?3338m0s1
N((1S)1(1HBENZIMIDAZOL2YL)2METHYLBUTYL)3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4(METHYLSULFANYL)PHENYL)PROPANAM
N((1S)1(1Hbenzimidazol2yl)2methylbutyl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)propanamide
N((1S2S)1(1Hbenzo(d)imidazol2yl)2methylbutyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)propanamide
ZINC001547138460
ZINC001547138463

Check stock

See real-time availability and sample size for STL552404 on the Vitas-M platform.

Check stock on Vitas-M

Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

Download SDF Download MOL 3D structure Download SDS