Vitas-M small molecule compound

3-[(Z)-{2-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenolate

Catalog ID
STL053353
SMILES Fc1ccc(cc1)[NH+]1CCN(CC1)C1=NC(=O)/C(=C/c2cccc(c2)[O-])/S1

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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 C20H18FN3O2S MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN3O2S/c21-15-4-6-16(7-5-15)23-8-10-24(11-9-23)20-22-19(26)18(27-20)13-14-2-1-3-17(25)12-14/h1-7,12-13,25H,8-11H2/b18-13-
InChIKey
VCVJEVSDJHEFDF-AQTBWJFISA-N
Synonyms
575462-36-1
(5Z)2(4(4FLUOROPHENYL)PIPERAZIN1YL)5((3HYDROXYPHENYL)METHYLIDENE)13THIAZOL4ONE
3((Z)(2(4(4fluorophenyl)piperazin4ium1yl)4oxo13thiazol5(4H)ylidene)methyl)phenolate
3((Z)(2(4(4FLUOROPHENYL)PIPERAZIN4IUM1YL)4OXO13THIAZOL5YLIDENE)METHYL)PHENOLATE
575462361
C1CN(CC(NH+)1C2=CC=C(C=C2)F)C3=NC(=O)C(=CC4=CC(=CC=C4)(O))S3
Fc1ccc(cc1)(NH+)1CCN(CC1)C1=NC(=O)C(=Cc2cccc(c2)(O))S1
InChI=1SC20H18FN3O2Sc21154616(7515)2381024(11923)202219(26)18(2720)131421317(25)1214h17121325H811H2b1813
MFCD04026801
ZINC000013749544
ZINC13749544

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Available files

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