Vitas-M small molecule compound
N-[1-(3-methoxyphenyl)ethyl]-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Catalog ID
STL395348
SMILES COc1cccc(c1)C(NC(=O)c1ccccc1Cn1nc(cc1C)[N+](=O)[O-])C
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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 C21H22N4O4 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4/c1-14-11-20(25(27)28)23-24(14)13-17-7-4-5-10-19(17)21(26)22-15(2)16-8-6-9-18(12-16)29-3/h4-12,15H,13H2,1-3H3,(H,22,26)InChIKey
WVGXUHSJVKGLEJ-UHFFFAOYSA-NSynonyms
1005699-32-01005699320
CC1=CC(=NN1CC2=CC=CC=C2C(=O)NC(C)C3=CC(=CC=C3)OC)(N+)(=O)(O)
COc1cccc(c1)C(NC(=O)c1ccccc1Cn1nc(cc1C)(N+)(=O)(O))C
InChI=1SC21H22N4O4c1141120(25(27)28)2324(14)13177451019(17)21(26)2215(2)1686918(1216)293h41215H13H213H3(H2226)
MFCD04132100
N(1(3METHOXYPHENYL)ETHYL)2((5METHYL3NITRO1HPYRAZOL1YL)METHYL)BENZAMIDE
N(1(3METHOXYPHENYL)ETHYL)2((5METHYL3NITROPYRAZOL1YL)METHYL)BENZAMIDE
ZINC000002796432
ZINC000002796433
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