Vitas-M small molecule compound
methyl 4-{(3E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STK591439
SMILES COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O
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 C30H22ClN3O7S2 MW 636.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22ClN3O7S2/c1-39-28(38)18-6-4-17(5-7-18)24-23(25(35)19-8-11-21-22(14-19)41-13-12-40-21)26(36)27(37)34(24)29-32-33-30(43-29)42-15-16-2-9-20(31)10-3-16/h2-11,14,24,35H,12-13,15H2,1H3/b25-23+InChIKey
RSWKTUBHJPCSQE-WJTDDFOZSA-NSynonyms
620576-83-2620576832
COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)Cl
COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC30H22ClN3O7S2c13928(38)186417(5718)2423(25(35)198112122(1419)4113124021)26(36)27(37)34(24)29323330(4329)4215162920(31)10316h211142435H121315H21H3b2523+
methyl4((3E)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)3(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD07198644
ZINC000150426371
ZINC000150426375
Check stock
See real-time availability and sample size for STK591439 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.