Vitas-M small molecule compound
(5E)-2-[4-(3-methylphenyl)piperazin-1-yl]-5-(3-nitrobenzylidene)-1,3-thiazol-4(5H)-one
Catalog ID
STK864514
SMILES Cc1cccc(c1)N1CCN(CC1)C1=NC(=O)/C(=C\c2cccc(c2)[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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-15-4-2-6-17(12-15)23-8-10-24(11-9-23)21-22-20(26)19(29-21)14-16-5-3-7-18(13-16)25(27)28/h2-7,12-14H,8-11H2,1H3/b19-14+InChIKey
PPOLVAWXXDEDIP-XMHGGMMESA-NSynonyms
376373-81-8(5E)2(4(3METHYLPHENYL)PIPERAZIN1YL)5((3NITROPHENYL)METHYLIDENE)13THIAZOL4ONE
(5E)2(4(3methylphenyl)piperazin1yl)5(3nitrobenzylidene)13thiazol4(5H)one
(Z)5(3nitrobenzylidene)2(4(mtolyl)piperazin1yl)thiazol4(5H)one
376373818
CC1=CC(=CC=C1)N2CCN(CC2)C3=NC(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))S3
Cc1cccc(c1)N1CCN(CC1)C1=NC(=O)C(=Cc2cccc(c2)(N+)(=O)(O))S1
InChI=1SC21H20N4O3Sc11542617(1215)2381024(11923)212220(26)19(2921)141653718(1316)25(27)28h271214H811H21H3b1914+
MFCD02374504
ZINC000009806188
ZINC09806188
ZINC9806188
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