Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)pyrrolidine-2,3-dione
Catalog ID
STL049520
SMILES Cc1cc(C)c2c(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 C28H21FN2O5S MW 516.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21FN2O5S/c1-14-11-15(2)23-21(12-14)37-28(30-23)31-24(17-5-3-4-6-18(17)29)22(26(33)27(31)34)25(32)16-7-8-19-20(13-16)36-10-9-35-19/h3-8,11-13,24,32H,9-10H2,1-2H3/b25-22+InChIKey
VNNIUYGBATWYTQ-YYDJUVGSSA-NSynonyms
618859-25-9(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)5(2fluorophenyl)pyrrolidine23dione
618859259
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC=CC=C6F)C
Cc1cc(C)c2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1ccccc1F
InChI=1SC28H21FN2O5Sc1141115(2)2321(1214)3728(3023)3124(17534618(17)29)22(26(33)27(31)34)25(32)16781920(1316)361093519h3811132432H910H212H3b2522+
MFCD05727217
ZINC000102886086
ZINC000102886088
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