Vitas-M small molecule compound
(4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-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
STK577705
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)Cl
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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 C35H34ClN3O7S2 MW 708.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34ClN3O7S2/c1-3-5-6-15-44-25-13-9-22(18-27(25)43-4-2)30-29(31(40)23-10-14-26-28(19-23)46-17-16-45-26)32(41)33(42)39(30)34-37-38-35(48-34)47-20-21-7-11-24(36)12-8-21/h7-14,18-19,30,40H,3-6,15-17,20H2,1-2H3/b31-29+InChIKey
POCQPKNZSQCEOR-OWWNRXNESA-NSynonyms
620577-67-5(4E)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4(pentyloxy)phenyl)pyrrolidine23dione
(4E)1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PENTOXYPHENYL)PYRROLIDINE23DIONE
620577675
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=C(C=C6)Cl)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)Cl
InChI=1SC35H34ClN3O7S2c135615442513922(1827(25)4342)3029(31(40)2310142628(1923)4617164526)32(41)33(42)39(30)34373835(4834)47202171124(36)12821h71418193040H36151720H212H3b3129+
MFCD07200386
ZINC000150471838
ZINC000150471839
Check stock
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Check stock on Vitas-MAvailable files
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