Vitas-M small molecule compound
1-{3-(furan-2-yl)-5-[(3-nitrobenzyl)amino]-1H-1,2,4-triazol-1-yl}-2-phenylethanone
Catalog ID
STK246594
SMILES O=C(n1nc(nc1NCc1cccc(c1)[N+](=O)[O-])c1ccco1)Cc1ccccc1
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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 C21H17N5O4 MW 403.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O4/c27-19(13-15-6-2-1-3-7-15)25-21(23-20(24-25)18-10-5-11-30-18)22-14-16-8-4-9-17(12-16)26(28)29/h1-12H,13-14H2,(H,22,23,24)InChIKey
MRDIFGBRQJDGNM-UHFFFAOYSA-NSynonyms
1(3(furan2yl)5((3nitrobenzyl)amino)1H124triazol1yl)2phenylethanone
1(3(furan2yl)5((3nitrophenyl)methylamino)124triazol1yl)2phenylethanone
C1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H17N5O4c2719(13156213715)2521(2320(2425)18105113018)22141684917(1216)26(28)29h112H1314H2(H222324)
MFCD08685208
O=C(n1nc(nc1NCc1cccc(c1)(N+)(=O)(O))c1ccco1)Cc1ccccc1
ZINC000009667699
ZINC09667699
ZINC9667699
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