Vitas-M small molecule compound
1-[(3,4-dimethylphenyl)sulfonyl]-4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazine
Catalog ID
STK171071
SMILES Cc1cc(ccc1C)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCCC1)[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 C22H28N4O4S MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O4S/c1-17-5-7-20(15-18(17)2)31(29,30)25-13-11-23(12-14-25)19-6-8-21(26(27)28)22(16-19)24-9-3-4-10-24/h5-8,15-16H,3-4,9-14H2,1-2H3InChIKey
JYUKWBAIGPTEAD-UHFFFAOYSA-NSynonyms
1((34DIMETHYLPHENYL)SULFONYL)4(4NITRO3(PYRROLIDIN1YL)PHENYL)PIPERAZINE
1(34DIMETHYLPHENYL)SULFONYL4(4NITRO3PYRROLIDIN1YLPHENYL)PIPERAZINE
CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCCC4)C
Cc1cc(ccc1C)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCCC1)(N+)(=O)(O)
InChI=1SC22H28N4O4Sc1175720(1518(17)2)31(2930)25131123(121425)196821(26(27)28)22(1619)249341024h581516H34914H212H3
MFCD04220348
ZINC000009891832
ZINC09891832
ZINC9891832
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