Vitas-M small molecule compound
N-(2-{[(3,4-diethoxyphenyl)carbonyl]amino}ethyl)-3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Catalog ID
STK689449
SMILES CCOc1cc(ccc1OCC)C(=O)NCCNC(=O)c1onc(n1)Cn1ccc(n1)[N+](=O)[O-]
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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 C20H23N7O7 MW 473.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N7O7/c1-3-32-14-6-5-13(11-15(14)33-4-2)18(28)21-8-9-22-19(29)20-23-16(25-34-20)12-26-10-7-17(24-26)27(30)31/h5-7,10-11H,3-4,8-9,12H2,1-2H3,(H,21,28)(H,22,29)InChIKey
NKTVZCWFYNPOPJ-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C(=O)NCCNC(=O)C2=NC(=NO2)CN3C=CC(=N3)(N+)(=O)(O))OCC
CCOc1cc(ccc1OCC)C(=O)NCCNC(=O)c1onc(n1)Cn1ccc(n1)(N+)(=O)(O)
InChI=1SC20H23N7O7c1332146513(1115(14)3342)18(28)21892219(29)202316(253420)122610717(2426)27(30)31h571011H348912H212H3(H2128)(H2229)
MFCD08095182
N(2(((34diethoxyphenyl)carbonyl)amino)ethyl)3((3nitro1Hpyrazol1yl)methyl)124oxadiazole5carboxamide
N(2((34diethoxybenzoyl)amino)ethyl)3((3nitropyrazol1yl)methyl)124oxadiazole5carboxamide
ZINC000012412120
ZINC12412120
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