Vitas-M small molecule compound
{3-(furan-2-yl)-5-[(3-nitrobenzyl)amino]-1H-1,2,4-triazol-1-yl}(phenyl)methanone
Catalog ID
STK246596
SMILES O=C(n1nc(nc1NCc1cccc(c1)[N+](=O)[O-])c1ccco1)c1ccccc1
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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 C20H15N5O4 MW 389.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N5O4/c26-19(15-7-2-1-3-8-15)24-20(22-18(23-24)17-10-5-11-29-17)21-13-14-6-4-9-16(12-14)25(27)28/h1-12H,13H2,(H,21,22,23)InChIKey
CRZUMXCOATVNFK-UHFFFAOYSA-NSynonyms
(3(furan2yl)5((3nitrobenzyl)amino)1H124triazol1yl)(phenyl)methanone
(3(furan2yl)5((3nitrophenyl)methylamino)124triazol1yl)phenylmethanone
C1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC20H15N5O4c2619(157213815)2420(2218(2324)17105112917)21131464916(1214)25(27)28h112H13H2(H212223)
MFCD08685210
O=C(n1nc(nc1NCc1cccc(c1)(N+)(=O)(O))c1ccco1)c1ccccc1
ZINC000009667700
ZINC09667700
ZINC9667700
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