Vitas-M small molecule compound

N'-(2-hexyl-2-hydroxyoctanoyl)-3-nitro-N-phenylbenzohydrazide

Catalog ID
STK537046
SMILES CCCCCCC(C(=O)NN(C(=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1)(CCCCCC)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 C27H37N3O5 MW 483.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37N3O5/c1-3-5-7-12-19-27(33,20-13-8-6-4-2)26(32)28-29(23-16-10-9-11-17-23)25(31)22-15-14-18-24(21-22)30(34)35/h9-11,14-18,21,33H,3-8,12-13,19-20H2,1-2H3,(H,28,32)
InChIKey
VATDKLDKZZWTDX-UHFFFAOYSA-N
Synonyms

CCCCCCC(C(=O)NN(C(=O)c1cccc(c1)(N+)(=O)(O))c1ccccc1)(CCCCCC)O
CCCCCCC(CCCCCC)(C(=O)NN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)(N+)(=O)(O))O
InChI=1SC27H37N3O5c1357121927(3320138642)26(32)2829(2316109111723)25(31)2215141824(2122)30(34)35h91114182133H3812131920H212H3(H2832)
MFCD02130779
N(2hexyl2hydroxyoctanoyl)3nitroNphenylbenzohydrazide
ZINC000009007771
ZINC09007771
ZINC9007771

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Available files

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