Vitas-M small molecule compound

4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazole-3-carboxylic acid

Catalog ID
STK349257
SMILES [O-][N+](=O)c1cn(nc1C(=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 C14H17N3O4 MW 291.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O4/c18-13(19)12-11(17(20)21)7-16(15-12)14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H,18,19)
InChIKey
KSPSQGXCQMJFKD-UHFFFAOYSA-N
Synonyms
444010-34-8
(O)(N+)(=O)c1cn(nc1C(=O)O)C12CC3CC(C2)CC(C1)C3
1(1ADAMANTYL)4NITRO1HPYRAZOLE3CARBOXYLICACID
1(1ADAMANTYL)4NITROPYRAZOLE3CARBOXYLICACID
1ADAMANTAN1YL4NITRO1HPYRAZOLE3CARBOXYLIC
1ADAMANTAN1YL4NITRO1HPYRAZOLE3CARBOXYLICACID
1ADAMANTANYL4NITROPYRAZOLE3CARBOXYLICACID
444010348
4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazole3carboxylicacid
C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)O)(N+)(=O)(O)
InChI=1SC14H17N3O4c1813(19)1211(17(20)21)716(1512)144819(514)310(28)614h710H16H2(H1819)
MFCD01834396
PYRAZOLE3CARBOXYLICACID1(1ADAMANTYL)4NITRO
ZINC000005749130
ZINC5749130

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Available files

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