Vitas-M small molecule compound
{3-(furan-2-yl)-5-[(4-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}(4-nitrophenyl)methanone
Catalog ID
STK246507
SMILES COc1ccc(cc1)CNc1nc(nn1C(=O)c1ccc(cc1)[N+](=O)[O-])c1ccco1
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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 C21H17N5O5 MW 419.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O5/c1-30-17-10-4-14(5-11-17)13-22-21-23-19(18-3-2-12-31-18)24-25(21)20(27)15-6-8-16(9-7-15)26(28)29/h2-12H,13H2,1H3,(H,22,23,24)InChIKey
JNFHCCILFSAHOH-UHFFFAOYSA-NSynonyms
(3(FURAN2YL)5((4METHOXYBENZYL)AMINO)1H124TRIAZOL1YL)(4NITROPHENYL)METHANONE
(3(FURAN2YL)5((4METHOXYPHENYL)METHYLAMINO)124TRIAZOL1YL)(4NITROPHENYL)METHANONE
COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CC=CO4
COc1ccc(cc1)CNc1nc(nn1C(=O)c1ccc(cc1)(N+)(=O)(O))c1ccco1
InChI=1SC21H17N5O5c1301710414(51117)1322212319(1832123118)2425(21)20(27)156816(9715)26(28)29h212H13H21H3(H222324)
MFCD08671650
ZINC000009667625
ZINC09667625
ZINC9667625
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