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

N-[3-(1H-benzimidazol-2-yl)propyl]-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
STL552093
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCc1nc2c([nH]1)cccc2

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 C36H36ClN3O7S MW 690.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36ClN3O7S/c1-19-16-25(41)30(34(43)36(19)35(44)31-26(45-2)18-27(46-3)32(37)33(31)47-36)22(20-11-13-21(48-4)14-12-20)17-29(42)38-15-7-10-28-39-23-8-5-6-9-24(23)40-28/h5-6,8-9,11-14,18-19,22,43H,7,10,15-17H2,1-4H3,(H,38,42)(H,39,40)/t19-,22?,36+
InChIKey
JMYWRNYHPWAGCX-RNEVABNNSA-N
Synonyms

~(N)(3(1~(H)benzimidazol2yl)propyl)3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)propanamide
135640389
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCc1nc2c((nH)1)cccc2
InChI=1SC36H36ClN3O7Sc1191625(41)30(34(43)36(19)35(44)3126(452)1827(463)32(37)33(31)4736)22(20111321(484)141220)1729(42)3815710283923856924(23)4028h5689111418192243H7101517H214H3(H3842)(H3940)t1922?36+m1s1
N(3(1Hbenzimidazol2yl)propyl)3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)propanamide
N(3(1Hbenzo(d)imidazol2yl)propyl)3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)propanamide
ZINC001547139086
ZINC001547139088

Check stock

See real-time availability and sample size for STL552093 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