Vitas-M small molecule compound

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

Catalog ID
STK548805
SMILES O=C1N=C(S/C/1=C/c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)c1ccc(c(c1)Cl)C

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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 C28H25ClN4O4S MW 549.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN4O4S/c1-19-2-7-23(17-25(19)29)31-12-14-32(15-13-31)28-30-27(34)26(38-28)16-20-5-10-24(11-6-20)37-18-21-3-8-22(9-4-21)33(35)36/h2-11,16-17H,12-15,18H2,1H3/b26-16+
InChIKey
PQMDPVUMLXCSFK-WGOQTCKBSA-N
Synonyms
612052-65-0
(5E)2(4(3CHLORO4METHYLPHENYL)PIPERAZIN1YL)5((4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)13THIAZOL4ONE
(5E)2(4(3chloro4methylphenyl)piperazin1yl)5(4((4nitrobenzyl)oxy)benzylidene)13thiazol4(5H)one
(E)2(4(3chloro4methylphenyl)piperazin1yl)5(4((4nitrobenzyl)oxy)benzylidene)thiazol4(5H)one
612052650
CC1=C(C=C(C=C1)N2CCN(CC2)C3=NC(=O)C(=CC4=CC=C(C=C4)OCC5=CC=C(C=C5)(N+)(=O)(O))S3)Cl
InChI=1SC28H25ClN4O4Sc1192723(1725(19)29)31121432(151331)283027(34)26(3828)162051024(11620)3718213822(9421)33(35)36h2111617H121518H21H3b2616+
MFCD03666987
O=C1N=C(SC1=Cc1ccc(cc1)OCc1ccc(cc1)(N+)(=O)(O))N1CCN(CC1)c1ccc(c(c1)Cl)C
ZINC000100924609
ZINC100924609

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Available files

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