Vitas-M small molecule compound
(4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK590572
SMILES COc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)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 C26H22N2O7S MW 506.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O7S/c1-13-24(14(2)29)36-26(27-13)28-21(15-4-7-17(33-3)8-5-15)20(23(31)25(28)32)22(30)16-6-9-18-19(12-16)35-11-10-34-18/h4-9,12,21,30H,10-11H2,1-3H3/b22-20+InChIKey
NOYAEPOMJGQDFT-LSDHQDQOSA-NSynonyms
578734-02-8(4E)1(5acetyl4methyl13thiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4methoxyphenyl)pyrrolidine23dione
578734028
CC1=C(SC(=N1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=C(C=C5)OC)C(=O)C
COc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C
InChI=1SC26H22N2O7Sc11324(14(2)29)3626(2713)2821(154717(333)8515)20(23(31)25(28)32)22(30)16691819(1216)3511103418h49122130H1011H213H3b2220+
MFCD07199132
ZINC000100496773
ZINC000100496774
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