Vitas-M small molecule compound
{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[4-(2-fluorobenzyl)piperazin-1-yl]methanone
Catalog ID
STL403799
SMILES O=C(c1ccc(cc1)Cn1cc(c(n1)[N+](=O)[O-])Cl)N1CCN(CC1)Cc1ccccc1F
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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 C22H21ClFN5O3 MW 457.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClFN5O3/c23-19-15-28(25-21(19)29(31)32)13-16-5-7-17(8-6-16)22(30)27-11-9-26(10-12-27)14-18-3-1-2-4-20(18)24/h1-8,15H,9-14H2InChIKey
RKAKUSYVMYRTEN-UHFFFAOYSA-NSynonyms
1005659-77-7(4((4chloro3nitro1Hpyrazol1yl)methyl)phenyl)(4(2fluorobenzyl)piperazin1yl)methanone
(4((4chloro3nitropyrazol1yl)methyl)phenyl)(4((2fluorophenyl)methyl)piperazin1yl)methanone
1005659777
C1CN(CCN1CC2=CC=CC=C2F)C(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)(N+)(=O)(O))Cl
InChI=1SC22H21ClFN5O3c23191528(2521(19)29(31)32)13165717(8616)22(30)2711926(101227)1418312420(18)24h1815H914H2
MFCD04137736
O=C(c1ccc(cc1)Cn1cc(c(n1)(N+)(=O)(O))Cl)N1CCN(CC1)Cc1ccccc1F
ZINC000022564694
ZINC22564694
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