Vitas-M small molecule compound
3-bromo-N-[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]benzamide
Catalog ID
STK083561
SMILES Brc1cccc(c1)C(=O)Nc1cc(N2CCCC2)c(cc1C)[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 C18H18BrN3O3 MW 404.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrN3O3/c1-12-9-17(22(24)25)16(21-7-2-3-8-21)11-15(12)20-18(23)13-5-4-6-14(19)10-13/h4-6,9-11H,2-3,7-8H2,1H3,(H,20,23)InChIKey
XLOHXISRTAWMER-UHFFFAOYSA-NSynonyms
3BROMON(2METHYL4NITRO5(PYRROLIDIN1YL)PHENYL)BENZAMIDE
3BROMON(2METHYL4NITRO5PYRROLIDIN1YLPHENYL)BENZAMIDE
Brc1cccc(c1)C(=O)Nc1cc(N2CCCC2)c(cc1C)(N+)(=O)(O)
CC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)Br)N3CCCC3)(N+)(=O)(O)
InChI=1SC18H18BrN3O3c112917(22(24)25)16(21723821)1115(12)2018(23)1354614(19)1013h46911H2378H21H3(H2023)
MFCD03031242
STK083561
ZINC000004187705
ZINC04187705
ZINC4187705
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