Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-ethoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK588298
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)C
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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 C24H21N3O6S MW 479.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O6S/c1-3-31-16-7-4-14(5-8-16)20-19(22(29)23(30)27(20)24-26-25-13(2)34-24)21(28)15-6-9-17-18(12-15)33-11-10-32-17/h4-9,12,20,28H,3,10-11H2,1-2H3/b21-19+InChIKey
PADBPYBFUDDVBO-XUTLUUPISA-NSynonyms
585559-66-6(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4ethoxyphenyl)1(5methyl134thiadiazol2yl)pyrrolidine23dione
585559666
CCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)C
CCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)C
InChI=1SC24H21N3O6Sc1331167414(5816)2019(22(29)23(30)27(20)24262513(2)3424)21(28)15691718(1215)3311103217h49122028H31011H212H3b2119+
MFCD07205909
ZINC000102603141
ZINC000102603146
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