Vitas-M small molecule compound

(4E)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione

Catalog ID
STK614561
SMILES COc1ccccc1C1N(c2nc3c(s2)cc(cc3)CC)C(=O)C(=O)/C/1=C(\c1ccc(cc1)F)/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/c1-3-15-8-13-19-21(14-15)35-27(29-19)30-23(18-6-4-5-7-20(18)34-2)22(25(32)26(30)33)24(31)16-9-11-17(28)12-10-16/h4-14,23,31H,3H2,1-2H3/b24-22+
InChIKey
NGLWTDOVJSBSLY-ZNTNEXAZSA-N
Synonyms
618420-72-7
(4E)1(6ethyl13benzothiazol2yl)4((4fluorophenyl)(hydroxy)methylidene)5(2methoxyphenyl)pyrrolidine23dione
(4E)1(6ETHYL13BENZOTHIAZOL2YL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(2METHOXYPHENYL)PYRROLIDINE23DIONE
1(6ETHYLBENZOTHIAZOL2YL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(2METHOXYPHENYL)3PYRROLIN2ONE
618420727
CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=C(C=C4)F)O)C(=O)C3=O)C5=CC=CC=C5OC
COc1ccccc1C1N(c2nc3c(s2)cc(cc3)CC)C(=O)C(=O)C1=C(c1ccc(cc1)F)O
InChI=1SC27H21FN2O4Sc13158131921(1415)3527(2919)3023(18645720(18)342)22(25(32)26(30)33)24(31)1691117(28)121016h4142331H3H212H3b2422+
MFCD08732320
ZINC000102713034
ZINC000102713036

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Available files

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