Vitas-M small molecule compound

N~2~-{4,6-bis[(3,5-dimethylphenyl)amino]-1,3,5-triazin-2-yl}-N-(3-nitrophenyl)alaninamide

Catalog ID
STK195445
SMILES O=C(C(Nc1nc(Nc2cc(C)cc(c2)C)nc(n1)Nc1cc(C)cc(c1)C)C)Nc1cccc(c1)[N+](=O)[O-]

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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 C28H30N8O3 MW 526.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N8O3/c1-16-9-17(2)12-22(11-16)31-27-33-26(34-28(35-27)32-23-13-18(3)10-19(4)14-23)29-20(5)25(37)30-21-7-6-8-24(15-21)36(38)39/h6-15,20H,1-5H3,(H,30,37)(H3,29,31,32,33,34,35)
InChIKey
OYBGTKAQMPYIDV-UHFFFAOYSA-N
Synonyms

2((46bis(35dimethylanilino)135triazin2yl)amino)N(3nitrophenyl)propanamide
CC1=CC(=CC(=C1)NC2=NC(=NC(=N2)NC(C)C(=O)NC3=CC(=CC=C3)(N+)(=O)(O))NC4=CC(=CC(=C4)C)C)C
InChI=1SC28H30N8O3c116917(2)1222(1116)31273326(3428(3527)32231318(3)1019(4)1423)2920(5)25(37)302176824(1521)36(38)39h61520H15H3(H3037)(H3293132333435)
MFCD06665836
N~2~(46bis((35dimethylphenyl)amino)135triazin2yl)N(3nitrophenyl)alaninamide
N2(46BIS((35DIMETHYLPHENYL)AMINO)135TRIAZIN2YL)N(3NITROPHENYL)ALANINAMIDE
O=C(C(Nc1nc(Nc2cc(C)cc(c2)C)nc(n1)Nc1cc(C)cc(c1)C)C)Nc1cccc(c1)(N+)(=O)(O)
ZINC000009933784
ZINC000009933785

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.