Vitas-M small molecule compound

(5Z)-2-[4-(diphenylmethyl)piperazin-1-yl]-5-(3-hydroxybenzylidene)-1,3-thiazol-4(5H)-one

Catalog ID
STK050190
SMILES Oc1cccc(c1)/C=C/1\SC(=NC1=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1

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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 C27H25N3O2S MW 455.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O2S/c31-23-13-7-8-20(18-23)19-24-26(32)28-27(33-24)30-16-14-29(15-17-30)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18-19,25,31H,14-17H2/b24-19-
InChIKey
FPVVPAGWXCVNDW-CLCOLTQESA-N
Synonyms
364384-13-4
(5Z)2(4(DIPHENYLMETHYL)PIPERAZIN1YL)5(3HYDROXYBENZYLIDENE)13THIAZOL4(5H)ONE
(5Z)2(4BENZHYDRYLPIPERAZIN1YL)5((3HYDROXYPHENYL)METHYLIDENE)13THIAZOL4ONE
(Z)2(4benzhydrylpiperazin1yl)5(3hydroxybenzylidene)thiazol4(5H)one
3((Z)(2(4(DIPHENYLMETHYL)PIPERAZIN4IUM1YL)4OXO13THIAZOL5(4H)YLIDENE)METHYL)PHENOLATE
3((Z)(2(4BENZHYDRYLPIPERAZIN4IUM1YL)4OXO13THIAZOL5YLIDENE)METHYL)PHENOLATE
C1CN(CC(NH+)1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=O)C(=CC5=CC(=CC=C5)(O))S4
InChI=1SC27H25N3O2Sc3123137820(1823)192426(32)2827(3324)30161429(151730)25(2193141021)22115261222h11318192531H1417H2b2419
Oc1cccc(c1)C=C1SC(=NC1=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
STK050190
ZINC000020025977
ZINC20025977

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Available files

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