Vitas-M small molecule compound
1-{3-(furan-2-yl)-5-[(3-nitrobenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-phenoxyethanone
Catalog ID
STK246593
SMILES [O-][N+](=O)c1cccc(c1)CNc1nc(nn1C(=O)COc1ccccc1)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/c27-19(14-31-17-8-2-1-3-9-17)25-21(23-20(24-25)18-10-5-11-30-18)22-13-15-6-4-7-16(12-15)26(28)29/h1-12H,13-14H2,(H,22,23,24)InChIKey
CBRCAOTTYBNFBF-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cccc(c1)CNc1nc(nn1C(=O)COc1ccccc1)c1ccco1
1(3(furan2yl)5((3nitrobenzyl)amino)1H124triazol1yl)2phenoxyethanone
1(3(furan2yl)5((3nitrophenyl)methylamino)124triazol1yl)2phenoxyethanone
C1=CC=C(C=C1)OCC(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H17N5O5c2719(1431178213917)2521(2320(2425)18105113018)22131564716(1215)26(28)29h112H1314H2(H222324)
MFCD08685207
ZINC000009667698
ZINC09667698
ZINC9667698
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