Vitas-M small molecule compound
1-(5-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-2-nitrophenyl)azepane
Catalog ID
STK206033
SMILES Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCCCCC1)[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 C22H27ClN4O4S MW 479.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27ClN4O4S/c23-18-5-8-20(9-6-18)32(30,31)26-15-13-24(14-16-26)19-7-10-21(27(28)29)22(17-19)25-11-3-1-2-4-12-25/h5-10,17H,1-4,11-16H2InChIKey
WXVRTJHMJMYBOL-UHFFFAOYSA-NSynonyms
1(5(4((4CHLOROPHENYL)SULFONYL)PIPERAZIN1YL)2NITROPHENYL)AZEPANE
1(5(4(4CHLOROPHENYL)SULFONYLPIPERAZIN1YL)2NITROPHENYL)AZEPANE
C1CCCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)(N+)(=O)(O)
Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCCCCC1)(N+)(=O)(O)
InChI=1SC22H27ClN4O4Sc23185820(9618)32(3031)26151324(141626)1971021(27(28)29)22(1719)251131241225h51017H141116H2
MFCD06182185
ZINC000009971829
ZINC09971829
ZINC9971829
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