Vitas-M small molecule compound
2-methyl-1-{5-[(3-nitrobenzyl)amino]-3-(thiophen-2-yl)-1H-1,2,4-triazol-1-yl}propan-1-one
Catalog ID
STK246538
SMILES CC(C(=O)n1nc(nc1NCc1cccc(c1)[N+](=O)[O-])c1cccs1)C
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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 C17H17N5O3S MW 371.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O3S/c1-11(2)16(23)21-17(19-15(20-21)14-7-4-8-26-14)18-10-12-5-3-6-13(9-12)22(24)25/h3-9,11H,10H2,1-2H3,(H,18,19,20)InChIKey
LONVPAFPKMMXGK-UHFFFAOYSA-NSynonyms
2methyl1(5((3nitrobenzyl)amino)3(thiophen2yl)1H124triazol1yl)propan1one
2methyl1(5((3nitrophenyl)methylamino)3thiophen2yl124triazol1yl)propan1one
CC(C(=O)n1nc(nc1NCc1cccc(c1)(N+)(=O)(O))c1cccs1)C
CC(C)C(=O)N1C(=NC(=N1)C2=CC=CS2)NCC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC17H17N5O3Sc111(2)16(23)2117(1915(2021)147482614)18101253613(912)22(24)25h3911H10H212H3(H181920)
MFCD08685154
ZINC000009667655
ZINC09667655
ZINC9667655
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