Vitas-M small molecule compound

N-({2-[(4-methoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)-3-nitrobenzamide

Catalog ID
STK099068
SMILES COc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccc(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 C16H14N4O5S MW 374.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O5S/c1-25-13-7-5-10(6-8-13)15(22)18-19-16(26)17-14(21)11-3-2-4-12(9-11)20(23)24/h2-9H,1H3,(H,18,22)(H2,17,19,21,26)
InChIKey
VWCKNEBUXSXDOH-UHFFFAOYSA-N
Synonyms

3NITRON((2(4METHOXYBENZOYL)HYDRAZINO)CARBOTHIOYL)BENZAMIDE
3NITRON((PANISOYLAMINO)THIOCARBAMOYL)BENZAMIDE
COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)(N+)(=O)(O)
COc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC16H14N4O5Sc125137510(6813)15(22)181916(26)1714(21)1132412(911)20(23)24h29H1H3(H1822)(H217192126)
MFCD03487972
N((((4METHOXYPHENYL)OXOMETHYL)HYDRAZO)SULFANYLIDENEMETHYL)3NITROBENZAMIDE
N(((4METHOXYBENZOYL)AMINO)CARBAMOTHIOYL)3NITROBENZAMIDE
N(((4METHOXYPHENYL)CARBONYLAMINO)CARBAMOTHIOYL)3NITROBENZAMIDE
N((2((4METHOXYPHENYL)CARBONYL)HYDRAZINO)CARBONOTHIOYL)3NITROBENZAMIDE
N((2((4METHOXYPHENYL)CARBONYL)HYDRAZINYL)CARBONOTHIOYL)3NITROBENZAMIDE
STK099068
ZINC000002135537
ZINC02135537
ZINC2135537

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Available files

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