Vitas-M small molecule compound

(5Z)-2-[4-(2-fluorophenyl)piperazin-1-yl]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazol-4(5H)-one

Catalog ID
STK795482
SMILES COc1cc(ccc1O)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccccc1F

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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 C21H20FN3O3S MW 413.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN3O3S/c1-28-18-12-14(6-7-17(18)26)13-19-20(27)23-21(29-19)25-10-8-24(9-11-25)16-5-3-2-4-15(16)22/h2-7,12-13,26H,8-11H2,1H3/b19-13-
InChIKey
LOIXYIIMQYSTRU-UYRXBGFRSA-N
Synonyms
696619-15-5
(5Z)2(4(2FLUOROPHENYL)PIPERAZIN1YL)5((4HYDROXY3METHOXYPHENYL)METHYLIDENE)13THIAZOL4ONE
(5Z)2(4(2fluorophenyl)piperazin1yl)5(4hydroxy3methoxybenzylidene)13thiazol4(5H)one
(Z)2(4(2fluorophenyl)piperazin1yl)5(4hydroxy3methoxybenzylidene)thiazol4(5H)one
2(4(2FLUOROPHENYL)PIPERAZINYL)5((4HYDROXY3METHOXYPHENYL)METHYLENE)13THIAZOLIN4ONE
4((Z)(2(4(2FLUOROPHENYL)PIPERAZIN4IUM1YL)4OXO13THIAZOL5YLIDENE)METHYL)2METHOXYPHENOLATE
COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N3CC(NH+)(CC3)C4=CC=CC=C4F)(O)
COc1cc(ccc1O)C=C1SC(=NC1=O)N1CCN(CC1)c1ccccc1F
InChI=1SC21H20FN3O3Sc128181214(6717(18)26)131920(27)2321(2919)2510824(91125)16532415(16)22h27121326H811H21H3b1913
MFCD04008177
ZINC000013751730
ZINC13751730

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.