Vitas-M small molecule compound
(4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-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
STL051600
SMILES CCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)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 C32H28ClN3O5S2 MW 634.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28ClN3O5S2/c1-3-13-40-24-6-4-5-20(16-24)27-26(28(37)21-9-12-25-22(15-21)14-18(2)41-25)29(38)30(39)36(27)31-34-35-32(43-31)42-17-19-7-10-23(33)11-8-19/h4-12,15-16,18,27,37H,3,13-14,17H2,1-2H3/b28-26+InChIKey
HGKKTZNKTYTPJK-BYCLXTJYSA-NSynonyms
(4E)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3propoxyphenyl)pyrrolidine23dione
(4E)1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
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=C(C=C6)Cl
CCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC32H28ClN3O5S2c1313402464520(1624)2726(28(37)219122522(1521)1418(2)4125)29(38)30(39)36(27)31343532(4331)42171971023(33)11819h4121516182737H3131417H212H3b2826+
MFCD05734327
ZINC000150459173
ZINC000150459199
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.