Vitas-M small molecule compound

(5E)-5-(4-tert-butylbenzylidene)-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one

Catalog ID
STK840636
SMILES O=C1N=C(S/C/1=C/c1ccc(cc1)C(C)(C)C)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

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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 C24H26N4O3S MW 450.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O3S/c1-24(2,3)18-10-8-17(9-11-18)16-21-22(29)25-23(32-21)27-14-12-26(13-15-27)19-6-4-5-7-20(19)28(30)31/h4-11,16H,12-15H2,1-3H3/b21-16+
InChIKey
ZPPWJIAXNDKHHY-LTGZKZEYSA-N
Synonyms
371136-40-2
(5E)5((4TERTBUTYLPHENYL)METHYLIDENE)2(4(2NITROPHENYL)PIPERAZIN1YL)13THIAZOL4ONE
(5E)5(4tertbutylbenzylidene)2(4(2nitrophenyl)piperazin1yl)13thiazol4(5H)one
(E)5(4(tertbutyl)benzylidene)2(4(2nitrophenyl)piperazin1yl)thiazol4(5H)one
371136402
CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC=C4(N+)(=O)(O)
InChI=1SC24H26N4O3Sc124(23)1810817(91118)162122(29)2523(3221)27141226(131527)19645720(19)28(30)31h41116H1215H213H3b2116+
MFCD03008732
O=C1N=C(SC1=Cc1ccc(cc1)C(C)(C)C)N1CCN(CC1)c1ccccc1(N+)(=O)(O)
ZINC000009194896
ZINC09194896
ZINC9194896

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Available files

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