Vitas-M small molecule compound

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

Catalog ID
STK604577
SMILES CCCOc1ccc(cc1)C1/C(=C(/c2ccc(cc2)F)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)CC

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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 C29H25FN2O4S MW 516.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25FN2O4S/c1-3-15-36-21-12-8-18(9-13-21)25-24(26(33)19-6-10-20(30)11-7-19)27(34)28(35)32(25)29-31-22-14-5-17(4-2)16-23(22)37-29/h5-14,16,25,33H,3-4,15H2,1-2H3/b26-24+
InChIKey
XJKDCOCGKJGOAO-SHHOIMCASA-N
Synonyms
618420-80-7
(4E)1(6ethyl13benzothiazol2yl)4((4fluorophenyl)(hydroxy)methylidene)5(4propoxyphenyl)pyrrolidine23dione
(4E)1(6ETHYL13BENZOTHIAZOL2YL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(4PROPOXYPHENYL)PYRROLIDINE23DIONE
1(6ETHYLBENZOTHIAZOL2YL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(4PROPOXYPHENYL)3PYRROLIN2ONE
618420807
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)CC
CCCOc1ccc(cc1)C1C(=C(c2ccc(cc2)F)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)CC
InChI=1SC29H25FN2O4Sc1315362112818(91321)2524(26(33)1961020(30)11719)27(34)28(35)32(25)29312214517(42)1623(22)3729h514162533H3415H212H3b2624+
MFCD08733018
ZINC000102697427
ZINC000102697432

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Available files

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