Vitas-M small molecule compound
2-amino-N-(butan-2-yl)-1-{[(E)-(3-nitrophenyl)methylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Catalog ID
STK714615
SMILES CCC(NC(=O)c1c2nc3ccccc3nc2n(c1N)/N=C/c1cccc(c1)[N+](=O)[O-])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 C22H21N7O3 MW 431.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N7O3/c1-3-13(2)25-22(30)18-19-21(27-17-10-5-4-9-16(17)26-19)28(20(18)23)24-12-14-7-6-8-15(11-14)29(31)32/h4-13H,3,23H2,1-2H3,(H,25,30)/b24-12+InChIKey
QAUPJBSWLPFUDZ-WYMPLXKRSA-NSynonyms
577694-12-3(E)2aminoN(secbutyl)1((3nitrobenzylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
2aminoN(butan2yl)1(((E)(3nitrophenyl)methylidene)amino)1Hpyrrolo(23b)quinoxaline3carboxamide
2aminoNbutan2yl1((E)(3nitrophenyl)methylideneamino)pyrrolo(32b)quinoxaline3carboxamide
577694123
CCC(C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CC(=CC=C4)(N+)(=O)(O))N
CCC(NC(=O)c1c2nc3ccccc3nc2n(c1N)N=Cc1cccc(c1)(N+)(=O)(O))C
InChI=1SC22H21N7O3c1313(2)2522(30)181921(27171054916(17)2619)28(20(18)23)24121476815(1114)29(31)32h413H323H212H3(H2530)b2412+
MFCD04027462
ZINC000001873201
ZINC000008818470
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