Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK573463
SMILES CCOc1cc(ccc1OCCC(C)C)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1F
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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 C35H34FN3O7S2 MW 691.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34FN3O7S2/c1-4-43-27-17-21(9-11-25(27)44-14-13-20(2)3)30-29(31(40)22-10-12-26-28(18-22)46-16-15-45-26)32(41)33(42)39(30)34-37-38-35(48-34)47-19-23-7-5-6-8-24(23)36/h5-12,17-18,20,30,40H,4,13-16,19H2,1-3H3/b31-29+InChIKey
ZCNQECCZCOAFAV-OWWNRXNESA-NSynonyms
620578-87-2(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4(3methylbutoxy)phenyl)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)1(5((2FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
620578872
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6F)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccccc1F
InChI=1SC35H34FN3O7S2c1443271721(91125(27)44141320(2)3)3029(31(40)2210122628(1822)4616154526)32(41)33(42)39(30)34373835(4834)471923756824(23)36h5121718203040H4131619H213H3b3129+
MFCD07200692
ZINC000150422320
ZINC000150422324
Check stock
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Check stock on Vitas-MAvailable files
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