Vitas-M small molecule compound
(4-benzylpiperazin-1-yl){4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methanone
Catalog ID
STL300980
SMILES O=C(c1ccc(cc1)Cn1cc(c(n1)[N+](=O)[O-])Cl)N1CCN(CC1)Cc1ccccc1
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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 C22H22ClN5O3 MW 439.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O3/c23-20-16-27(24-21(20)28(30)31)15-18-6-8-19(9-7-18)22(29)26-12-10-25(11-13-26)14-17-4-2-1-3-5-17/h1-9,16H,10-15H2InChIKey
MLWXFIPSTWMNJP-UHFFFAOYSA-NSynonyms
955875-47-5(4benzylpiperazin1yl)(4((4chloro3nitro1Hpyrazol1yl)methyl)phenyl)methanone
(4BENZYLPIPERAZIN1YL)(4((4CHLORO3NITROPYRAZOL1YL)METHYL)PHENYL)METHANONE
(4BENZYLPIPERAZIN1YL)(4(4CHLORO3NITROPYRAZOL1YLMETHYL)PHENYL)METHANONE
955875475
C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)(N+)(=O)(O))Cl
InChI=1SC22H22ClN5O3c23201627(2421(20)28(30)31)15186819(9718)22(29)26121025(111326)14174213517h1916H1015H2
MFCD01919332
O=C(c1ccc(cc1)Cn1cc(c(n1)(N+)(=O)(O))Cl)N1CCN(CC1)Cc1ccccc1
ZINC000020150132
ZINC20150132
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