Vitas-M small molecule compound
ethyl 1-ethyl-4-({[4-nitro-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]carbonyl}amino)-1H-pyrazole-3-carboxylate
Catalog ID
STL396376
SMILES CCOC(=O)c1nn(cc1NC(=O)c1nn(cc1[N+](=O)[O-])C12CC3CC(C2)CC(C1)C3)CC
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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 C22H28N6O5 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N6O5/c1-3-26-11-16(18(24-26)21(30)33-4-2)23-20(29)19-17(28(31)32)12-27(25-19)22-8-13-5-14(9-22)7-15(6-13)10-22/h11-15H,3-10H2,1-2H3,(H,23,29)InChIKey
JALRVEXQJJWOQU-UHFFFAOYSA-NSynonyms
1005576-01-11005576011
CCN1C=C(C(=N1)C(=O)OCC)NC(=O)C2=NN(C=C2(N+)(=O)(O))C34CC5CC(C3)CC(C5)C4
CCOC(=O)c1nn(cc1NC(=O)c1nn(cc1(N+)(=O)(O))C12CC3CC(C2)CC(C1)C3)CC
ethyl1ethyl4(((4nitro1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)carbonyl)amino)1Hpyrazole3carboxylate
ethyl4((1(1adamantyl)4nitropyrazole3carbonyl)amino)1ethylpyrazole3carboxylate
InChI=1SC22H28N6O5c13261116(18(2426)21(30)3342)2320(29)1917(28(31)32)1227(2519)22813514(922)715(613)1022h1115H310H212H3(H2329)
ZINC000022562661
ZINC22562661
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