Vitas-M small molecule compound

N-(4-methoxyphenyl)-N'-(4-nitrophenyl)-6-[(2Z)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazinyl]-1,3,5-triazine-2,4-diamine

Catalog ID
STK671709
SMILES COc1ccc(cc1)Nc1nc(N/N=C\c2ccc(o2)c2cccc(c2)[N+](=O)[O-])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 C27H21N9O6 MW 567.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N9O6/c1-41-22-11-7-19(8-12-22)30-26-31-25(29-18-5-9-20(10-6-18)35(37)38)32-27(33-26)34-28-16-23-13-14-24(42-23)17-3-2-4-21(15-17)36(39)40/h2-16H,1H3,(H3,29,30,31,32,33,34)/b28-16-
InChIKey
BILFIDLUFGBHDD-NTFVMDSBSA-N
Synonyms

4N(4METHOXYPHENYL)6N(4NITROPHENYL)2N((Z)(5(3NITROPHENYL)FURAN2YL)METHYLIDENEAMINO)135TRIAZINE246TRIAMINE
COC1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)(N+)(=O)(O))NN=CC4=CC=C(O4)C5=CC(=CC=C5)(N+)(=O)(O)
COc1ccc(cc1)Nc1nc(NN=Cc2ccc(o2)c2cccc(c2)(N+)(=O)(O))nc(n1)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H21N9O6c1412211719(81222)30263125(29185920(10618)35(37)38)3227(3326)34281623131424(4223)1732421(1517)36(39)40h216H1H3(H3293031323334)b2816
MFCD00820837
N(4METHOXYPHENYL)N(4NITROPHENYL)6((2Z)2((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)HYDRAZINYL)135TRIAZINE24DIAMINE
ZINC000008872903
ZINC102776208

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Available files

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