Vitas-M small molecule compound

1-[(3,4-dimethoxyphenyl)sulfonyl]-4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazine

Catalog ID
STK171067
SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)[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 C23H27N5O6S MW 501.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O6S/c1-16-13-17(2)27(24-16)21-14-18(5-7-20(21)28(29)30)25-9-11-26(12-10-25)35(31,32)19-6-8-22(33-3)23(15-19)34-4/h5-8,13-15H,9-12H2,1-4H3
InChIKey
YWXIXCBTFCHUAL-UHFFFAOYSA-N
Synonyms
956790-29-7
1((34DIMETHOXYPHENYL)SULFONYL)4(3(35DIMETHYL1HPYRAZOL1YL)4NITROPHENYL)PIPERAZINE
1(34DIMETHOXYPHENYL)SULFONYL4(3(35DIMETHYLPYRAZOL1YL)4NITROPHENYL)PIPERAZINE
956790297
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC)(N+)(=O)(O))C
COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)(N+)(=O)(O)
InChI=1SC23H27N5O6Sc1161317(2)27(2416)211418(5720(21)28(29)30)2591126(121025)35(3132)196822(333)23(1519)344h581315H912H214H3
MFCD04197593
ZINC000009210500
ZINC09210500
ZINC9210500

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Available files

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