Vitas-M small molecule compound
2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 3,4-dimethoxybenzoate
Catalog ID
STK674914
SMILES COc1ccc(cc1OC)C(=O)OCCN1CCN(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 C22H24F3N3O6 MW 483.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24F3N3O6/c1-32-19-6-3-15(13-20(19)33-2)21(29)34-12-11-26-7-9-27(10-8-26)17-5-4-16(22(23,24)25)14-18(17)28(30)31/h3-6,13-14H,7-12H2,1-2H3InChIKey
NIVKGNPVLMJYNV-UHFFFAOYSA-NSynonyms
2(4(2nitro4(trifluoromethyl)phenyl)piperazin1yl)ethyl34dimethoxybenzoate
COC1=C(C=C(C=C1)C(=O)OCCN2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O))OC
COc1ccc(cc1OC)C(=O)OCCN1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC22H24F3N3O6c132196315(1320(19)332)21(29)341211267927(10826)175416(22(2324)25)1418(17)28(30)31h361314H712H212H3
MFCD01420739
ZINC000055190531
ZINC55190531
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