Vitas-M small molecule compound
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]butanamide
Catalog ID
STL397681
SMILES CCC(n1nc(c(c1C)Cl)C)C(=O)Nc1cc(cc(c1)[N+](=O)[O-])Oc1ccccc1C
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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 C22H23ClN4O4 MW 442.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O4/c1-5-19(26-15(4)21(23)14(3)25-26)22(28)24-16-10-17(27(29)30)12-18(11-16)31-20-9-7-6-8-13(20)2/h6-12,19H,5H2,1-4H3,(H,24,28)InChIKey
HWQGVQJUWIZSCW-UHFFFAOYSA-NSynonyms
1005657-76-01005657760
2(4CHLORO35DIMETHYL1HPYRAZOL1YL)N(3(2METHYLPHENOXY)5NITROPHENYL)BUTANAMIDE
2(4chloro35dimethylpyrazol1yl)N(3(2methylphenoxy)5nitrophenyl)butanamide
CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC=CC=C2C)(N+)(=O)(O))N3C(=C(C(=N3)C)Cl)C
CCC(n1nc(c(c1C)Cl)C)C(=O)Nc1cc(cc(c1)(N+)(=O)(O))Oc1ccccc1C
InChI=1SC22H23ClN4O4c1519(2615(4)21(23)14(3)2526)22(28)24161017(27(29)30)1218(1116)3120976813(20)2h61219H5H214H3(H2428)
MFCD04136189
ZINC000002805387
ZINC000002805388
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