Vitas-M small molecule compound
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(2-fluorophenyl)pyrrolidine-2,3-dione
Catalog ID
STL050979
SMILES Clc1ccc2c(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 C26H16ClFN2O5S MW 522.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H16ClFN2O5S/c27-14-6-7-17-20(12-14)36-26(29-17)30-22(15-3-1-2-4-16(15)28)21(24(32)25(30)33)23(31)13-5-8-18-19(11-13)35-10-9-34-18/h1-8,11-12,22,31H,9-10H2/b23-21+InChIKey
LQPONVLMFCMRNH-XTQSDGFTSA-NSynonyms
618858-35-8(4E)1(6chloro13benzothiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(2fluorophenyl)pyrrolidine23dione
618858358
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)Cl)C6=CC=CC=C6F)O
Clc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccccc1F
InChI=1SC26H16ClFN2O5Sc2714671720(1214)3626(2917)3022(15312416(15)28)21(24(32)25(30)33)23(31)13581819(1113)351093418h1811122231H910H2b2321+
MFCD05725001
ZINC000102888061
ZINC000102888065
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