Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK572059
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1ccccc1F
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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 C27H19FN2O6S MW 518.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19FN2O6S/c1-34-15-7-8-18-21(13-15)37-27(29-18)30-23(16-4-2-3-5-17(16)28)22(25(32)26(30)33)24(31)14-6-9-19-20(12-14)36-11-10-35-19/h2-9,12-13,23,31H,10-11H2,1H3/b24-22+InChIKey
ACZZESVUOUZRCO-ZNTNEXAZSA-NSynonyms
618857-12-8(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(2fluorophenyl)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
618857128
COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC=CC=C6F
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccccc1F
InChI=1SC27H19FN2O6Sc13415781821(1315)3727(2918)3023(16423517(16)28)22(25(32)26(30)33)24(31)14691920(1214)3611103519h2912132331H1011H21H3b2422+
MFCD07201838
ZINC000102657086
ZINC000102657091
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