Vitas-M small molecule compound
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4-methyl-3,5-dinitrobenzamide
Catalog ID
STK451050
SMILES O=C(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)Nc1c(C)nn(c1C)Cc1ccccc1Cl
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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 C20H18ClN5O5 MW 443.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN5O5/c1-11-17(25(28)29)8-15(9-18(11)26(30)31)20(27)22-19-12(2)23-24(13(19)3)10-14-6-4-5-7-16(14)21/h4-9H,10H2,1-3H3,(H,22,27)InChIKey
ZGGNFEWUFPGTFQ-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1(N+)(=O)(O))C(=O)NC2=C(N(N=C2C)CC3=CC=CC=C3Cl)C)(N+)(=O)(O)
InChI=1SC20H18ClN5O5c11117(25(28)29)815(918(11)26(30)31)20(27)221912(2)2324(13(19)3)1014645716(14)21h49H10H213H3(H2227)
MFCD03470035
N(1((2CHLOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)(4METHYL35DINITROPHENYL)CARBOXAMIDE
N(1((2CHLOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)4METHYL35DINITROBENZAMIDE
N(1(2CHLOROBENZYL)35DIMETHYL1HPYRAZOL4YL)35BISNITRO4METHYLBENZAMIDE
N(1(2chlorobenzyl)35dimethyl1Hpyrazol4yl)4methyl35dinitrobenzamide
O=C(c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C)Nc1c(C)nn(c1C)Cc1ccccc1Cl
ZINC000002102179
ZINC02102179
ZINC2102179
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