Vitas-M small molecule compound
(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3-ethoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK584527
SMILES CCOc1cccc(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 C30H25N3O6S2 MW 587.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O6S2/c1-2-37-21-10-6-9-19(15-21)25-24(26(34)20-11-12-22-23(16-20)39-14-13-38-22)27(35)28(36)33(25)29-31-32-30(41-29)40-17-18-7-4-3-5-8-18/h3-12,15-16,25,34H,2,13-14,17H2,1H3/b26-24+InChIKey
KLZICPNUCOCDTQ-SHHOIMCASA-NSynonyms
(4E)1(5(benzylsulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxyphenyl)pyrrolidine23dione
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXYPHENYL)PYRROLIDINE23DIONE
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6
CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC30H25N3O6S2c123721106919(1521)2524(26(34)2011122223(1620)3914133822)27(35)28(36)33(25)29313230(4129)4017187435818h31215162534H2131417H21H3b2624+
MFCD07199563
ZINC000102597106
ZINC000102597115
Check stock
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Check stock on Vitas-MAvailable files
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