Vitas-M small molecule compound
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazole-3-carboxamide
Catalog ID
STK317564
SMILES CCn1cc(c(n1)C)CNC(=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 C21H28N6O3 MW 412.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O3/c1-3-25-11-17(13(2)23-25)10-22-20(28)19-18(27(29)30)12-26(24-19)21-7-14-4-15(8-21)6-16(5-14)9-21/h11-12,14-16H,3-10H2,1-2H3,(H,22,28)InChIKey
GTBJNWJMXALWLD-UHFFFAOYSA-NSynonyms
494218-13-21(1ADAMANTYL)N((1ETHYL3METHYLPYRAZOL4YL)METHYL)4NITROPYRAZOLE3CARBOXAMIDE
494218132
CCN1C=C(C(=N1)C)CNC(=O)C2=NN(C=C2(N+)(=O)(O))C34CC5CC(C3)CC(C5)C4
CCn1cc(c(n1)C)CNC(=O)c1nn(cc1(N+)(=O)(O))C12CC3CC(C2)CC(C1)C3
InChI=1SC21H28N6O3c13251117(13(2)2325)102220(28)1918(27(29)30)1226(2419)21714415(821)616(514)921h11121416H310H212H3(H2228)
MFCD02373804
N((1ethyl3methyl1Hpyrazol4yl)methyl)4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazole3carboxamide
ZINC000005658940
ZINC05658940
ZINC5658940
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