Vitas-M small molecule compound
{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}{4-[(1-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}methanone
Catalog ID
STK311459
SMILES Cn1ncc(c1)CN1CCN(CC1)C(=O)c1ccc(cc1)Cn1cc(c(n1)[N+](=O)[O-])Cl
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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 C20H22ClN7O3 MW 443.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN7O3/c1-24-11-16(10-22-24)12-25-6-8-26(9-7-25)20(29)17-4-2-15(3-5-17)13-27-14-18(21)19(23-27)28(30)31/h2-5,10-11,14H,6-9,12-13H2,1H3InChIKey
AXQKYTFUBSJOIA-UHFFFAOYSA-NSynonyms
1005571-56-1(4((4chloro3nitro1Hpyrazol1yl)methyl)phenyl)(4((1methyl1Hpyrazol4yl)methyl)piperazin1yl)methanone
(4((4chloro3nitropyrazol1yl)methyl)phenyl)(4((1methylpyrazol4yl)methyl)piperazin1yl)methanone
1005571561
CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)(N+)(=O)(O))Cl
Cn1ncc(c1)CN1CCN(CC1)C(=O)c1ccc(cc1)Cn1cc(c(n1)(N+)(=O)(O))Cl
InChI=1SC20H22ClN7O3c1241116(102224)12256826(9725)20(29)174215(3517)13271418(21)19(2327)28(30)31h25101114H691213H21H3
MFCD04137939
ZINC000019639348
ZINC19639348
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