Vitas-M small molecule compound

2,2-dimethyl-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one

Catalog ID
STK046612
SMILES O=C(C(C)(C)C)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F

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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 C16H20F3N3O3 MW 359.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20F3N3O3/c1-15(2,3)14(23)21-8-6-20(7-9-21)12-5-4-11(16(17,18)19)10-13(12)22(24)25/h4-5,10H,6-9H2,1-3H3
InChIKey
ULALSYJWMJWPOH-UHFFFAOYSA-N
Synonyms

22DIMETHYL1(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PROPAN1ONE
CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O)
InChI=1SC16H20F3N3O3c115(23)14(23)218620(7921)125411(16(1718)19)1013(12)22(24)25h4510H69H213H3
MFCD03146496
O=C(C(C)(C)C)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
STK046612
ZINC000004619222
ZINC04619222
ZINC4619222

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Available files

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