Vitas-M small molecule compound
4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
Catalog ID
STK331679
SMILES O=C(c1nn(cc1[N+](=O)[O-])C12CC3CC(C2)CC(C1)C3)NCc1c(C)nn(c1C)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 C21H28N6O3 MW 412.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O3/c1-12-17(13(2)25(3)23-12)10-22-20(28)19-18(27(29)30)11-26(24-19)21-7-14-4-15(8-21)6-16(5-14)9-21/h11,14-16H,4-10H2,1-3H3,(H,22,28)InChIKey
XVXGBDHZMXZRKC-UHFFFAOYSA-NSynonyms
494218-19-81(1ADAMANTYL)4NITRON((135TRIMETHYLPYRAZOL4YL)METHYL)PYRAZOLE3CARBOXAMIDE
494218198
4nitro1(tricyclo(3311~37~)dec1yl)N((135trimethyl1Hpyrazol4yl)methyl)1Hpyrazole3carboxamide
CC1=C(C(=NN1C)C)CNC(=O)C2=NN(C=C2(N+)(=O)(O))C34CC5CC(C3)CC(C5)C4
InChI=1SC21H28N6O3c11217(13(2)25(3)2312)102220(28)1918(27(29)30)1126(2419)21714415(821)616(514)921h111416H410H213H3(H2228)
MFCD02373866
O=C(c1nn(cc1(N+)(=O)(O))C12CC3CC(C2)CC(C1)C3)NCc1c(C)nn(c1C)C
ZINC000005697022
ZINC05697022
ZINC5697022
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