Vitas-M small molecule compound

1-{3-(furan-2-yl)-5-[(3-nitrobenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-phenylpropan-1-one

Catalog ID
STK246595
SMILES [O-][N+](=O)c1cccc(c1)CNc1nc(nn1C(=O)CCc1ccccc1)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 C22H19N5O4 MW 417.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O4/c28-20(12-11-16-6-2-1-3-7-16)26-22(24-21(25-26)19-10-5-13-31-19)23-15-17-8-4-9-18(14-17)27(29)30/h1-10,13-14H,11-12,15H2,(H,23,24,25)
InChIKey
GYFXEQUQDQAUBS-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cccc(c1)CNc1nc(nn1C(=O)CCc1ccccc1)c1ccco1
1(3(furan2yl)5((3nitrobenzyl)amino)1H124triazol1yl)3phenylpropan1one
1(3(furan2yl)5((3nitrophenyl)methylamino)124triazol1yl)3phenylpropan1one
C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)C3=CC=CO3)NCC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC22H19N5O4c2820(1211166213716)2622(2421(2526)19105133119)23151784918(1417)27(29)30h1101314H111215H2(H232425)
MFCD08685209
ZINC000013844108
ZINC13844108

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Available files

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