Vitas-M small molecule compound
[4-(2-chloro-6-fluorobenzyl)piperazin-1-yl]{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone
Catalog ID
STK311407
SMILES O=C(c1ccc(cc1)Cn1nc(c(c1)Cl)[N+](=O)[O-])N1CCN(CC1)Cc1c(F)cccc1Cl
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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 C22H20Cl2FN5O3 MW 492.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20Cl2FN5O3/c23-18-2-1-3-20(25)17(18)13-27-8-10-28(11-9-27)22(31)16-6-4-15(5-7-16)12-29-14-19(24)21(26-29)30(32)33/h1-7,14H,8-13H2InChIKey
BGSLGYJVUAFQDY-UHFFFAOYSA-NSynonyms
1005688-66-3(4((2chloro6fluorophenyl)methyl)piperazin1yl)(4((4chloro3nitropyrazol1yl)methyl)phenyl)methanone
(4(2chloro6fluorobenzyl)piperazin1yl)(4((4chloro3nitro1Hpyrazol1yl)methyl)phenyl)methanone
1005688663
C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)(N+)(=O)(O))Cl
InChI=1SC22H20Cl2FN5O3c231821320(25)17(18)132781028(11927)22(31)166415(5716)12291419(24)21(2629)30(32)33h1714H813H2
MFCD04137801
O=C(c1ccc(cc1)Cn1nc(c(c1)Cl)(N+)(=O)(O))N1CCN(CC1)Cc1c(F)cccc1Cl
ZINC000020045459
ZINC20045459
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