Vitas-M small molecule compound
(5E)-3-(4-fluorobenzyl)-5-[2-(morpholin-4-yl)-5-nitrobenzylidene]-1,3-thiazolidine-2,4-dione
Catalog ID
STK143680
SMILES Fc1ccc(cc1)CN1C(=O)S/C(=C/c2cc(ccc2N2CCOCC2)[N+](=O)[O-])/C1=O
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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 C21H18FN3O5S MW 443.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN3O5S/c22-16-3-1-14(2-4-16)13-24-20(26)19(31-21(24)27)12-15-11-17(25(28)29)5-6-18(15)23-7-9-30-10-8-23/h1-6,11-12H,7-10,13H2/b19-12+InChIKey
BLGFHWFDAHQYGL-XDHOZWIPSA-NSynonyms
(5E)3((4FLUOROPHENYL)METHYL)5((2MORPHOLIN4YL5NITROPHENYL)METHYLIDENE)13THIAZOLIDINE24DIONE
(5E)3(4FLUOROBENZYL)5(2(MORPHOLIN4YL)5NITROBENZYLIDENE)13THIAZOLIDINE24DIONE
C1COCCN1C2=C(C=C(C=C2)(N+)(=O)(O))C=C3C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F
Fc1ccc(cc1)CN1C(=O)SC(=Cc2cc(ccc2N2CCOCC2)(N+)(=O)(O))C1=O
InChI=1SC21H18FN3O5Sc22163114(2416)132420(26)19(3121(24)27)12151117(25(28)29)5618(15)23793010823h161112H71013H2b1912+
MFCD06253052
ZINC000009273405
ZINC09273405
ZINC9273405
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