Vitas-M small molecule compound
[4-(4-chloro-2-nitrophenyl)piperazin-1-yl][4-(dimethylamino)-2-methoxy-5-nitrophenyl]methanone
Catalog ID
STK012035
SMILES COc1cc(N(C)C)c(cc1C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])Cl)[N+](=O)[O-]
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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 C20H22ClN5O6 MW 463.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN5O6/c1-22(2)16-12-19(32-3)14(11-18(16)26(30)31)20(27)24-8-6-23(7-9-24)15-5-4-13(21)10-17(15)25(28)29/h4-5,10-12H,6-9H2,1-3H3InChIKey
HXWMJBQWXCYJSG-UHFFFAOYSA-NSynonyms
(4(4CHLORO2NITROPHENYL)PIPERAZIN1YL)(4(DIMETHYLAMINO)2METHOXY5NITROPHENYL)METHANONE
CN(C)C1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)(N+)(=O)(O))(N+)(=O)(O)
COc1cc(N(C)C)c(cc1C(=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))Cl)(N+)(=O)(O)
InChI=1SC20H22ClN5O6c122(2)161219(323)14(1118(16)26(30)31)20(27)248623(7924)155413(21)1017(15)25(28)29h451012H69H213H3
MFCD00289267
STK012035
ZINC000008983420
ZINC08983420
ZINC8983420
Check stock
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Check stock on Vitas-MAvailable files
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