Vitas-M small molecule compound
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL041426
SMILES COc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/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 C28H21ClN2O5S MW 533.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN2O5S/c1-14-11-17-12-16(5-10-21(17)36-14)25(32)23-24(15-3-7-19(35-2)8-4-15)31(27(34)26(23)33)28-30-20-9-6-18(29)13-22(20)37-28/h3-10,12-14,24,32H,11H2,1-2H3/b25-23+InChIKey
FQJIQSAXMSOJLR-WJTDDFOZSA-NSynonyms
849917-09-5(4E)1(6chloro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(4methoxyphenyl)pyrrolidine23dione
849917095
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)Cl)C6=CC=C(C=C6)OC)O
COc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC28H21ClN2O5Sc11411171216(51021(17)3614)25(32)2324(153719(352)8415)31(27(34)26(23)33)2830209618(29)1322(20)3728h31012142432H11H212H3b2523+
MFCD05727133
ZINC000102867953
ZINC000102867961
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