Vitas-M small molecule compound

2-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-N'-[(1Z)-1-(3-nitrophenyl)ethylidene]acetohydrazide

Catalog ID
STK106225
SMILES O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)N/N=C(\c1cccc(c1)[N+](=O)[O-])/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 C21H25N5O5S MW 459.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O5S/c1-16-6-8-20(9-7-16)32(30,31)25-12-10-24(11-13-25)15-21(27)23-22-17(2)18-4-3-5-19(14-18)26(28)29/h3-9,14H,10-13,15H2,1-2H3,(H,23,27)/b22-17-
InChIKey
RNUWBHCTFRXGBA-XLNRJJMWSA-N
Synonyms
488088-13-7
(Z)N(1(3nitrophenyl)ethylidene)2(4tosylpiperazin1yl)acetohydrazide
2(4((4METHYLPHENYL)SULFONYL)PIPERAZIN1YL)N((1Z)1(3NITROPHENYL)ETHYLIDENE)ACETOHYDRAZIDE
2(4(4METHYLPHENYL)SULFONYLPIPERAZIN1YL)N((Z)1(3NITROPHENYL)ETHYLIDENEAMINO)ACETAMIDE
488088137
CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NN=C(C)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC21H25N5O5Sc1166820(9716)32(3031)25121024(111325)1521(27)232217(2)1843519(1418)26(28)29h3914H101315H212H3(H2327)b2217
MFCD03218664
N((1Z)2(3NITROPHENYL)1AZAPROP1ENYL)2(4((4METHYLPHENYL)SULFONYL)PIPERAZINYL)ACETAMIDE
O=C(CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)NN=C(c1cccc(c1)(N+)(=O)(O))C
ZINC000012465382
ZINC59329495

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Available files

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