Vitas-M small molecule compound
methyl 2-({[4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbonyl}amino)benzoate
Catalog ID
STK316992
SMILES COC(=O)c1ccccc1NC(=O)c1nn(cc1[N+](=O)[O-])C12CC3CC(C2)CC(C1)C3
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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 C22H24N4O5 MW 424.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O5/c1-31-21(28)16-4-2-3-5-17(16)23-20(27)19-18(26(29)30)12-25(24-19)22-9-13-6-14(10-22)8-15(7-13)11-22/h2-5,12-15H,6-11H2,1H3,(H,23,27)InChIKey
SCLXYZUVIMRRON-UHFFFAOYSA-NSynonyms
515176-74-6515176746
COC(=O)C1=CC=CC=C1NC(=O)C2=NN(C=C2(N+)(=O)(O))C34CC5CC(C3)CC(C5)C4
COC(=O)c1ccccc1NC(=O)c1nn(cc1(N+)(=O)(O))C12CC3CC(C2)CC(C1)C3
InChI=1SC22H24N4O5c13121(28)16423517(16)2320(27)1918(26(29)30)1225(2419)22913614(1022)815(713)1122h251215H611H21H3(H2327)
METHYL2(((1(1ADAMANTYL)4NITRO1HPYRAZOL3YL)CARBONYL)AMINO)BENZOATE
methyl2(((4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)carbonyl)amino)benzoate
METHYL2((1(1ADAMANTYL)4NITROPYRAZOLE3CARBONYL)AMINO)BENZOATE
MFCD03758585
ZINC000008454106
ZINC08454106
ZINC8454106
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