Vitas-M small molecule compound
(4E)-5-(3-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK598071
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nccs1
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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 C26H24N2O6S MW 492.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O6S/c1-2-3-10-32-18-6-4-5-16(14-18)22-21(24(30)25(31)28(22)26-27-9-13-35-26)23(29)17-7-8-19-20(15-17)34-12-11-33-19/h4-9,13-15,22,29H,2-3,10-12H2,1H3/b23-21+InChIKey
ATZSHGPDCZUAIC-XTQSDGFTSA-NSynonyms
(4E)5(3butoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(13thiazol2yl)pyrrolidine23dione
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC=CS5
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nccs1
InChI=1SC26H24N2O6Sc12310321864516(1418)2221(24(30)25(31)28(22)26279133526)23(29)17781920(1517)3412113319h4913152229H231012H21H3b2321+
MFCD07204580
ZINC000102624353
ZINC000102624360
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