Vitas-M small molecule compound
N-(1-benzyl-1H-pyrazol-4-yl)-4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazole-3-carboxamide
Catalog ID
STK317554
SMILES O=C(c1nn(cc1[N+](=O)[O-])C12CC3CC(C2)CC(C1)C3)Nc1cnn(c1)Cc1ccccc1
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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 C24H26N6O3 MW 446.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N6O3/c31-23(26-20-12-25-28(14-20)13-16-4-2-1-3-5-16)22-21(30(32)33)15-29(27-22)24-9-17-6-18(10-24)8-19(7-17)11-24/h1-5,12,14-15,17-19H,6-11,13H2,(H,26,31)InChIKey
RROGGTUOOSOTQX-UHFFFAOYSA-NSynonyms
492457-52-01(1ADAMANTYL)N(1BENZYLPYRAZOL4YL)4NITROPYRAZOLE3CARBOXAMIDE
492457520
C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CN(N=C5)CC6=CC=CC=C6)(N+)(=O)(O)
InChI=1SC24H26N6O3c3123(2620122528(1420)13164213516)2221(30(32)33)1529(2722)24917618(1024)819(717)1124h151214151719H61113H2(H2631)
MFCD02373623
N(1benzyl1Hpyrazol4yl)4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazole3carboxamide
O=C(c1nn(cc1(N+)(=O)(O))C12CC3CC(C2)CC(C1)C3)Nc1cnn(c1)Cc1ccccc1
ZINC000012649940
ZINC12649940
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