Vitas-M small molecule compound
(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL050142
SMILES CCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O
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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 C32H29N3O5S2 MW 599.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29N3O5S2/c1-3-14-39-24-11-7-10-21(17-24)27-26(28(36)22-12-13-25-23(16-22)15-19(2)40-25)29(37)30(38)35(27)31-33-34-32(42-31)41-18-20-8-5-4-6-9-20/h4-13,16-17,19,27,36H,3,14-15,18H2,1-2H3/b28-26+InChIKey
JLYOKVIJEMEGHU-BYCLXTJYSA-NSynonyms
893697-73-9(4E)1(5(benzylsulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3propoxyphenyl)pyrrolidine23dione
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
893697739
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6
CCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC32H29N3O5S2c131439241171021(1724)2726(28(36)2212132523(1622)1519(2)4025)29(37)30(38)35(27)31333432(4231)4118208546920h4131617192736H3141518H212H3b2826+
MFCD05726030
ZINC000102887800
ZINC000102887808
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.