Vitas-M small molecule compound

(5E)-2-[4-(3-chlorophenyl)piperazin-1-yl]-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-1,3-thiazol-4(5H)-one

Catalog ID
STK545576
SMILES Clc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(cc2)OCc2ccc(cc2)[N+](=O)[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 C27H23ClN4O4S MW 535.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4O4S/c28-21-2-1-3-23(17-21)30-12-14-31(15-13-30)27-29-26(33)25(37-27)16-19-6-10-24(11-7-19)36-18-20-4-8-22(9-5-20)32(34)35/h1-11,16-17H,12-15,18H2/b25-16+
InChIKey
NGQMGENRJQXHJU-PCLIKHOPSA-N
Synonyms
612052-63-8
(5E)2(4(3CHLOROPHENYL)PIPERAZIN1YL)5((4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)13THIAZOL4ONE
(5E)2(4(3chlorophenyl)piperazin1yl)5(4((4nitrobenzyl)oxy)benzylidene)13thiazol4(5H)one
(E)2(4(3chlorophenyl)piperazin1yl)5(4((4nitrobenzyl)oxy)benzylidene)thiazol4(5H)one
612052638
C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=O)C(=CC4=CC=C(C=C4)OCC5=CC=C(C=C5)(N+)(=O)(O))S3
Clc1cccc(c1)N1CCN(CC1)C1=NC(=O)C(=Cc2ccc(cc2)OCc2ccc(cc2)(N+)(=O)(O))S1
InChI=1SC27H23ClN4O4Sc282121323(1721)30121431(151330)272926(33)25(3727)161961024(11719)3618204822(9520)32(34)35h1111617H121518H2b2516+
MFCD03662528
ZINC000100907582
ZINC100907582

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Available files

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