Vitas-M small molecule compound
4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-2-yl)-1H-pyrazole-3-carboxylic acid
Catalog ID
STL163914
SMILES [O-][N+](=O)c1cn(nc1C(=O)O)C1C2CC3CC1CC(C2)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 C14H17N3O4 MW 291.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O4/c18-14(19)12-11(17(20)21)6-16(15-12)13-9-2-7-1-8(4-9)5-10(13)3-7/h6-10,13H,1-5H2,(H,18,19)InChIKey
XFKAVEXMZMQGBI-UHFFFAOYSA-NSynonyms
1306739-32-1(O)(N+)(=O)c1cn(nc1C(=O)O)C1C2CC3CC1CC(C2)C3
1(2ADAMANTYL)4NITRO1HPYRAZOLE3CARBOXYLICACID
1(2adamantyl)4nitropyrazole3carboxylicacid
1306739321
4NITRO1((1R3R5R7R)ADAMANTAN2YL)PYRAZOLE3CARBOXYLICACID
4nitro1(tricyclo(3311~37~)dec2yl)1Hpyrazole3carboxylicacid
C1C2CC3CC1CC(C2)C3N4C=C(C(=N4)C(=O)O)(N+)(=O)(O)
InChI=1SC14H17N3O4c1814(19)1211(17(20)21)616(1512)1392718(49)510(13)37h61013H15H2(H1819)
ZINC000066324291
ZINC66324291
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