Vitas-M small molecule compound

3-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-(2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}ethyl)-1,2,4-oxadiazole-5-carboxamide

Catalog ID
STK689241
SMILES COc1cc(cc(c1OC)OC)C(=O)NCCNC(=O)c1onc(n1)Cn1ncc(c1)[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 C19H21N7O8 MW 475.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N7O8/c1-31-13-6-11(7-14(32-2)16(13)33-3)17(27)20-4-5-21-18(28)19-23-15(24-34-19)10-25-9-12(8-22-25)26(29)30/h6-9H,4-5,10H2,1-3H3,(H,20,27)(H,21,28)
InChIKey
CDIIZLAHOUFFOB-UHFFFAOYSA-N
Synonyms

3((4nitro1Hpyrazol1yl)methyl)N(2(((345trimethoxyphenyl)carbonyl)amino)ethyl)124oxadiazole5carboxamide
3((4NITROPYRAZOL1YL)METHYL)N(2((345TRIMETHOXYBENZOYL)AMINO)ETHYL)124OXADIAZOLE5CARBOXAMIDE
COC1=CC(=CC(=C1OC)OC)C(=O)NCCNC(=O)C2=NC(=NO2)CN3C=C(C=N3)(N+)(=O)(O)
COc1cc(cc(c1OC)OC)C(=O)NCCNC(=O)c1onc(n1)Cn1ncc(c1)(N+)(=O)(O)
InChI=1SC19H21N7O8c13113611(714(322)16(13)333)17(27)20452118(28)192315(243419)1025912(82225)26(29)30h69H4510H213H3(H2027)(H2128)
MFCD07800820
ZINC000012418549
ZINC12418549

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Available files

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