Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(3-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK562086
SMILES COc1cccc(c1)C1/C(=C(/c2ccc(cc2)F)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
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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/c1-14-11-15(2)22-20(12-14)35-27(29-22)30-23(17-5-4-6-19(13-17)34-3)21(25(32)26(30)33)24(31)16-7-9-18(28)10-8-16/h4-13,23,31H,1-3H3/b24-21+InChIKey
JZRMJIDXWHWRGC-DARPEHSRSA-NSynonyms
514193-88-5(4E)1(46dimethyl13benzothiazol2yl)4((4fluorophenyl)(hydroxy)methylidene)5(3methoxyphenyl)pyrrolidine23dione
(4E)1(46DIMETHYL13BENZOTHIAZOL2YL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(3METHOXYPHENYL)PYRROLIDINE23DIONE
1(46DIMETHYLBENZOTHIAZOL2YL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(3METHOXYPHENYL)3PYRROLIN2ONE
514193885
CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=CC(=CC=C5)OC)C
COc1cccc(c1)C1C(=C(c2ccc(cc2)F)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC27H21FN2O4Sc1141115(2)2220(1214)3527(2922)3023(1754619(1317)343)21(25(32)26(30)33)24(31)167918(28)10816h4132331H13H3b2421+
MFCD03794258
ZINC000102509513
ZINC000102509522
Check stock
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Check stock on Vitas-MAvailable files
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