Vitas-M small molecule compound
ethyl 1-methyl-5-[3-(4-{[(4-nitro-1H-pyrazol-1-yl)acetyl]amino}phenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-3-carboxylate
Catalog ID
STK689877
SMILES CCOC(=O)c1nn(c(c1)c1onc(n1)c1ccc(cc1)NC(=O)Cn1ncc(c1)[N+](=O)[O-])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 C20H18N8O6 MW 466.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N8O6/c1-3-33-20(30)15-8-16(26(2)24-15)19-23-18(25-34-19)12-4-6-13(7-5-12)22-17(29)11-27-10-14(9-21-27)28(31)32/h4-10H,3,11H2,1-2H3,(H,22,29)InChIKey
ROPFRDRGQJOBPB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NN(C(=C1)C2=NC(=NO2)C3=CC=C(C=C3)NC(=O)CN4C=C(C=N4)(N+)(=O)(O))C
CCOC(=O)c1nn(c(c1)c1onc(n1)c1ccc(cc1)NC(=O)Cn1ncc(c1)(N+)(=O)(O))C
ethyl1methyl5(3(4(((4nitro1Hpyrazol1yl)acetyl)amino)phenyl)124oxadiazol5yl)1Hpyrazole3carboxylate
ethyl1methyl5(3(4((2(4nitropyrazol1yl)acetyl)amino)phenyl)124oxadiazol5yl)pyrazole3carboxylate
InChI=1SC20H18N8O6c133320(30)15816(26(2)2415)192318(253419)124613(7512)2217(29)11271014(92127)28(31)32h410H311H212H3(H2229)
MFCD09062838
ZINC000012410707
ZINC12410707
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