Vitas-M small molecule compound
(4E)-5-(2-fluorophenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL052096
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/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/c1-14-11-16-12-15(7-10-21(16)36-14)25(32)23-24(18-5-3-4-6-19(18)29)31(27(34)26(23)33)28-30-20-9-8-17(35-2)13-22(20)37-28/h3-10,12-14,24,32H,11H2,1-2H3/b25-23+InChIKey
PHRDDWPSSRJDNT-WJTDDFOZSA-NSynonyms
862488-70-8(4E)5(2fluorophenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
862488708
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)OC)C6=CC=CC=C6F)O
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1ccccc1F
InChI=1SC28H21FN2O5Sc11411161215(71021(16)3614)25(32)2324(18534619(18)29)31(27(34)26(23)33)2830209817(352)1322(20)3728h31012142432H11H212H3b2523+
MFCD05725914
ZINC000102889819
ZINC000102889827
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