Vitas-M small molecule compound
1-(benzylsulfonyl)-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine
Catalog ID
STK148927
SMILES [O-][N+](=O)c1ccc(c(c1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)Cc1ccccc1
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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 C18H18F3N3O4S MW 429.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18F3N3O4S/c19-18(20,21)16-12-15(24(25)26)6-7-17(16)22-8-10-23(11-9-22)29(27,28)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2InChIKey
OYPXZRZKINBIMR-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(c(c1)C(F)(F)F)N1CCN(CC1)S(=O)(=O)Cc1ccccc1
1(BENZYLSULFONYL)4(4NITRO2(TRIFLUOROMETHYL)PHENYL)PIPERAZINE
1BENZYLSULFONYL4(4NITRO2(TRIFLUOROMETHYL)PHENYL)PIPERAZINE
C1CN(CCN1C2=C(C=C(C=C2)(N+)(=O)(O))C(F)(F)F)S(=O)(=O)CC3=CC=CC=C3
InChI=1SC18H18F3N3O4Sc1918(2021)161215(24(25)26)6717(16)2281023(11922)29(2728)13144213514h1712H81113H2
MFCD02631995
ZINC000009601760
ZINC09601760
ZINC9601760
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