Vitas-M small molecule compound
[2-(morpholin-4-yl)-5-nitrophenyl]{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Catalog ID
STK002182
SMILES O=C(c1cc(ccc1N1CCOCC1)[N+](=O)[O-])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 C22H22F3N5O6 MW 509.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F3N5O6/c23-22(24,25)15-1-3-19(20(13-15)30(34)35)26-5-7-28(8-6-26)21(31)17-14-16(29(32)33)2-4-18(17)27-9-11-36-12-10-27/h1-4,13-14H,5-12H2InChIKey
BOAKVQQGHGRPEQ-UHFFFAOYSA-NSynonyms
(2(MORPHOLIN4YL)5NITROPHENYL)(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)METHANONE
(2MORPHOLIN4YL5NITROPHENYL)(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)METHANONE
C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O))C(=O)C3=C(C=CC(=C3)(N+)(=O)(O))N4CCOCC4
InChI=1SC22H22F3N5O6c2322(2425)151319(20(1315)30(34)35)265728(8626)21(31)171416(29(32)33)2418(17)2791136121027h141314H512H2
MFCD03227212
O=C(c1cc(ccc1N1CCOCC1)(N+)(=O)(O))N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
STK002182
ZINC000008916599
ZINC08916599
ZINC8916599
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