Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(2-fluorophenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK559143
SMILES COc1ccc(cc1)/C(=C\1/C(c2ccccc2F)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)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 C27H21FN2O4S MW 488.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21FN2O4S/c1-14-12-15(2)22-20(13-14)35-27(29-22)30-23(18-6-4-5-7-19(18)28)21(25(32)26(30)33)24(31)16-8-10-17(34-3)11-9-16/h4-13,23,31H,1-3H3/b24-21+InChIKey
MMLQPVKQTFYXMB-DARPEHSRSA-NSynonyms
514194-19-5(4E)1(46dimethyl13benzothiazol2yl)5(2fluorophenyl)4(hydroxy(4methoxyphenyl)methylidene)pyrrolidine23dione
1(46DIMETHYLBENZOTHIAZOL2YL)5(2FLUOROPHENYL)3HYDROXY4((4METHOXYPHENYL)CARBONYL)3PYRROLIN2ONE
514194195
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=C(C=C4)OC)O)C(=O)C3=O)C5=CC=CC=C5F)C
COc1ccc(cc1)C(=C1C(c2ccccc2F)N(C(=O)C1=O)c1nc2c(s1)cc(cc2C)C)O
InChI=1SC27H21FN2O4Sc1141215(2)2220(1314)3527(2922)3023(18645719(18)28)21(25(32)26(30)33)24(31)1681017(343)11916h4132331H13H3b2421+
MFCD03798619
ZINC000102484767
ZINC000102484773
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