Vitas-M small molecule compound

2-[(2-methylphenyl)amino]-N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]acetohydrazide (non-preferred name)

Catalog ID
STK745829
SMILES O=C(CNc1ccccc1C)N/N=C/c1cc2OCOc2cc1[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 C17H16N4O5 MW 356.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O5/c1-11-4-2-3-5-13(11)18-9-17(22)20-19-8-12-6-15-16(26-10-25-15)7-14(12)21(23)24/h2-8,18H,9-10H2,1H3,(H,20,22)/b19-8+
InChIKey
TUWLKIKXEZIZTL-UFWORHAWSA-N
Synonyms

2((2METHYLPHENYL)AMINO)N((E)(6NITRO13BENZODIOXOL5YL)METHYLIDENE)ACETOHYDRAZIDE(NONPREFERREDNAME)
2(2methylanilino)N((E)(6nitro13benzodioxol5yl)methylideneamino)acetamide
CC1=CC=CC=C1NCC(=O)NN=CC2=CC3=C(C=C2(N+)(=O)(O))OCO3
InChI=1SC17H16N4O5c111423513(11)18917(22)201981261516(26102515)714(12)21(23)24h2818H910H21H3(H2022)b198+
MFCD00364010
O=C(CNc1ccccc1C)NN=Cc1cc2OCOc2cc1(N+)(=O)(O)
ZINC000001433643
ZINC5128230

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Available files

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