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-ethoxy-4-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK598627
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1
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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 C35H35N3O7S2 MW 673.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H35N3O7S2/c1-3-5-9-16-43-25-14-12-23(19-27(25)42-4-2)30-29(31(39)24-13-15-26-28(20-24)45-18-17-44-26)32(40)33(41)38(30)34-36-37-35(47-34)46-21-22-10-7-6-8-11-22/h6-8,10-15,19-20,30,39H,3-5,9,16-18,21H2,1-2H3/b31-29+InChIKey
YYJBDMLLDXSEMQ-OWWNRXNESA-NSynonyms
620574-26-7(4E)1(5(benzylsulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4(pentyloxy)phenyl)pyrrolidine23dione
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PENTOXYPHENYL)PYRROLIDINE23DIONE
620574267
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1
InChI=1SC35H35N3O7S2c1359164325141223(1927(25)4242)3029(31(39)2413152628(2024)4518174426)32(40)33(41)38(30)34363735(4734)462122107681122h68101519203039H359161821H212H3b3129+
MFCD07211981
ZINC000150488562
ZINC000150488563
Check stock
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Check stock on Vitas-MAvailable files
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