Vitas-M small molecule compound
methyl 3-nitro-5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)benzoate
Catalog ID
STK085808
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCN(CC1)c1cccc(c1)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 C20H18F3N3O5 MW 437.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F3N3O5/c1-31-19(28)14-9-13(10-17(11-14)26(29)30)18(27)25-7-5-24(6-8-25)16-4-2-3-15(12-16)20(21,22)23/h2-4,9-12H,5-8H2,1H3InChIKey
DALUMKWYZTXJEH-UHFFFAOYSA-NSynonyms
432508-30-0432508300
COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
InChI=1SC20H18F3N3O5c13119(28)14913(1017(1114)26(29)30)18(27)257524(6825)1642315(1216)20(2122)23h24912H58H21H3
METHYL3NITRO5((4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)CARBONYL)BENZOATE
METHYL3NITRO5(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZINE1CARBONYL)BENZOATE
METHYL5NITRO3((4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZINYL)CARBONYL)BENZOATE
MFCD03348150
STK085808
ZINC000009680373
ZINC09680373
ZINC9680373
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