Vitas-M small molecule compound

1-[(2-nitrophenyl)sulfonyl]-4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazine

Catalog ID
STK172019
SMILES [O-][N+](=O)c1ccc(cc1N1CCCC1)N1CCN(CC1)S(=O)(=O)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 C20H23N5O6S MW 461.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O6S/c26-24(27)17-8-7-16(15-19(17)22-9-3-4-10-22)21-11-13-23(14-12-21)32(30,31)20-6-2-1-5-18(20)25(28)29/h1-2,5-8,15H,3-4,9-14H2
InChIKey
ICKLGCKUQVDLAZ-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1N1CCCC1)N1CCN(CC1)S(=O)(=O)c1ccccc1(N+)(=O)(O)
1((2NITROPHENYL)SULFONYL)4(4NITRO3(PYRROLIDIN1YL)PHENYL)PIPERAZINE
1(2NITROPHENYL)SULFONYL4(4NITRO3PYRROLIDIN1YLPHENYL)PIPERAZINE
2NITRO1((4(4NITRO3PYRROLIDINYLPHENYL)PIPERAZINYL)SULFONYL)BENZENE
C1CCN(C1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC20H23N5O6Sc2624(27)178716(1519(17)229341022)21111323(141221)32(3031)20621518(20)25(28)29h125815H34914H2
MFCD05661659
ZINC000004125013
ZINC04125013
ZINC4125013

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Available files

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