Vitas-M small molecule compound

2-[(4-chlorophenyl)sulfanyl]-1-{4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}ethanone

Catalog ID
STK155695
SMILES Clc1ccc(cc1)SCC(=O)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)[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 C23H27ClN4O3S MW 475.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27ClN4O3S/c24-18-4-7-20(8-5-18)32-17-23(29)27-14-12-25(13-15-27)19-6-9-21(28(30)31)22(16-19)26-10-2-1-3-11-26/h4-9,16H,1-3,10-15,17H2
InChIKey
WQASSICRUQQOMP-UHFFFAOYSA-N
Synonyms

2((4CHLOROPHENYL)SULFANYL)1(4(4NITRO3(PIPERIDIN1YL)PHENYL)PIPERAZIN1YL)ETHANONE
2(4CHLOROPHENYL)SULFANYL1(4(4NITRO3PIPERIDIN1YLPHENYL)PIPERAZIN1YL)ETHANONE
C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)CSC4=CC=C(C=C4)Cl)(N+)(=O)(O)
Clc1ccc(cc1)SCC(=O)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)(N+)(=O)(O)
InChI=1SC23H27ClN4O3Sc24184720(8518)321723(29)27141225(131527)196921(28(30)31)22(1619)26102131126h4916H13101517H2
MFCD06662828
ZINC000009721065
ZINC09721065
ZINC9721065

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Available files

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