Vitas-M small molecule compound

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

Catalog ID
STK558000
SMILES O=C1N=C(S/C/1=C/c1ccccc1OCc1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1

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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 C28H26N4O4S MW 514.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4S/c33-27-26(37-28(29-27)31-16-14-30(15-17-31)19-21-6-2-1-3-7-21)18-23-8-4-5-9-25(23)36-20-22-10-12-24(13-11-22)32(34)35/h1-13,18H,14-17,19-20H2/b26-18+
InChIKey
PHIDMCRJPSCRCP-NLRVBDNBSA-N
Synonyms
578700-27-3
(5E)2(4BENZYLPIPERAZIN1YL)5((2((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)13THIAZOL4ONE
(5E)2(4benzylpiperazin1yl)5(2((4nitrobenzyl)oxy)benzylidene)13thiazol4(5H)one
(E)2(4benzylpiperazin1yl)5(2((4nitrobenzyl)oxy)benzylidene)thiazol4(5H)one
578700273
C1CN(CCN1CC2=CC=CC=C2)C3=NC(=O)C(=CC4=CC=CC=C4OCC5=CC=C(C=C5)(N+)(=O)(O))S3
InChI=1SC28H26N4O4Sc332726(3728(2927)31161430(151731)19216213721)1823845925(23)362022101224(131122)32(34)35h11318H14171920H2b2618+
MFCD04029269
O=C1N=C(SC1=Cc1ccccc1OCc1ccc(cc1)(N+)(=O)(O))N1CCN(CC1)Cc1ccccc1
ZINC000020329707
ZINC20329707

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Available files

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