Vitas-M small molecule compound
N-benzyl-6-[(2E)-2-(3,4-diethoxybenzylidene)hydrazinyl]-N'-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
Catalog ID
STK669743
SMILES CCOc1ccc(cc1OCC)/C=N/Nc1nc(NCc2ccccc2)nc(n1)Nc1ccc(cc1)[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 C27H28N8O4 MW 528.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N8O4/c1-3-38-23-15-10-20(16-24(23)39-4-2)18-29-34-27-32-25(28-17-19-8-6-5-7-9-19)31-26(33-27)30-21-11-13-22(14-12-21)35(36)37/h5-16,18H,3-4,17H2,1-2H3,(H3,28,30,31,32,33,34)/b29-18+InChIKey
HCFGRUCIMAMIAN-RDRPBHBLSA-NSynonyms
6Nbenzyl2N((E)(34diethoxyphenyl)methylideneamino)4N(4nitrophenyl)135triazine246triamine
CCOC1=C(C=C(C=C1)C=NNC2=NC(=NC(=N2)NCC3=CC=CC=C3)NC4=CC=C(C=C4)(N+)(=O)(O))OCC
CCOc1ccc(cc1OCC)C=NNc1nc(NCc2ccccc2)nc(n1)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H28N8O4c133823151020(1624(23)3942)182934273225(2817198657919)3126(3327)3021111322(141221)35(36)37h51618H3417H212H3(H3283031323334)b2918+
MFCD00735727
NBENZYL6((2E)2(34DIETHOXYBENZYLIDENE)HYDRAZINYL)N(4NITROPHENYL)135TRIAZINE24DIAMINE
ZINC000008872777
ZINC102773805
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