Vitas-M small molecule compound
(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(3-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK581838
SMILES Clc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C28H20ClN3O5S2 MW 578.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN3O5S2/c29-19-8-4-7-17(13-19)23-22(24(33)18-9-10-20-21(14-18)37-12-11-36-20)25(34)26(35)32(23)27-30-31-28(39-27)38-15-16-5-2-1-3-6-16/h1-10,13-14,23,33H,11-12,15H2/b24-22+InChIKey
CSKNSVKEPCQGTQ-ZNTNEXAZSA-NSynonyms
(4E)1(5(benzylsulfanyl)134thiadiazol2yl)5(3chlorophenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)pyrrolidine23dione
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)5(3CHLOROPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)PYRROLIDINE23DIONE
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5)C6=CC(=CC=C6)Cl)O
Clc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC28H20ClN3O5S2c291984717(1319)2322(24(33)189102021(1418)3712113620)25(34)26(35)32(23)27303128(3927)3815165213616h11013142333H111215H2b2422+
MFCD07204677
ZINC000102591970
ZINC000102591980
Check stock
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Check stock on Vitas-MAvailable files
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