Vitas-M small molecule compound

N-(3-methoxyphenyl)-4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazole-3-carboxamide

Catalog ID
STL400321
SMILES COc1cccc(c1)NC(=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 C21H24N4O4 MW 396.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O4/c1-29-17-4-2-3-16(8-17)22-20(26)19-18(25(27)28)12-24(23-19)21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,12-15H,5-7,9-11H2,1H3,(H,22,26)
InChIKey
FNWZABHTRYLBCB-UHFFFAOYSA-N
Synonyms
515150-84-2
1(1ADAMANTYL)4NITRON(3METHOXYPHENYL)1HPYRAZOLE3CARBOXAMIDE
1(1ADAMANTYL)N(3METHOXYPHENYL)4NITROPYRAZOLE3CARBOXAMIDE
515150842
COC1=CC=CC(=C1)NC(=O)C2=NN(C=C2(N+)(=O)(O))C34CC5CC(C3)CC(C5)C4
COc1cccc(c1)NC(=O)c1nn(cc1(N+)(=O)(O))C12CC3CC(C2)CC(C1)C3
InChI=1SC21H24N4O4c1291742316(817)2220(26)1918(25(27)28)1224(2319)21913514(1021)715(613)1121h2481215H57911H21H3(H2226)
N(3methoxyphenyl)4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazole3carboxamide
ZINC000004650868
ZINC04650868
ZINC4650868

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Available files

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