Vitas-M small molecule compound

(5Z)-2-[4-(2-nitrophenyl)piperazin-1-yl]-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1,3-thiazol-4(5H)-one

Catalog ID
STK847457
SMILES O=C1N=C(S/C/1=C\c1cn[nH]c1c1ccccc1)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 C23H20N6O3S MW 460.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N6O3S/c30-22-20(14-17-15-24-26-21(17)16-6-2-1-3-7-16)33-23(25-22)28-12-10-27(11-13-28)18-8-4-5-9-19(18)29(31)32/h1-9,14-15H,10-13H2,(H,24,26)/b20-14-
InChIKey
ZOYLFZCOQUIFQZ-ZHZULCJRSA-N
Synonyms
1010866-35-9
(5Z)2(4(2nitrophenyl)piperazin1yl)5((5phenyl1Hpyrazol4yl)methylidene)13thiazol4(5H)one
(5Z)2(4(2NITROPHENYL)PIPERAZIN1YL)5((5PHENYL1HPYRAZOL4YL)METHYLIDENE)13THIAZOL4ONE
(Z)2(4(2nitrophenyl)piperazin1yl)5((3phenyl1Hpyrazol4yl)methylene)thiazol4(5H)one
1010866359
C1CN(CCN1C2=CC=CC=C2(N+)(=O)(O))C3=NC(=O)C(=CC4=C(NN=C4)C5=CC=CC=C5)S3
InChI=1SC23H20N6O3Sc302220(141715242621(17)166213716)3323(2522)28121027(111328)18845919(18)29(31)32h191415H1013H2(H2426)b2014
MFCD05734988
O=C1N=C(SC1=Cc1c(nH)nc1c1ccccc1)N1CCN(CC1)c1ccccc1(N+)(=O)(O)
O=C1N=C(SC1=Cc1cn(nH)c1c1ccccc1)N1CCN(CC1)c1ccccc1(N+)(=O)(O)
ZINC000009411180
ZINC09411180
ZINC9411180

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.