Vitas-M small molecule compound

3,4,5-trimethoxy-N-[(3-nitrophenyl)carbamothioyl]benzamide

Catalog ID
STK005707
SMILES COc1cc(cc(c1OC)OC)C(=O)NC(=S)Nc1cccc(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 C17H17N3O6S MW 391.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O6S/c1-24-13-7-10(8-14(25-2)15(13)26-3)16(21)19-17(27)18-11-5-4-6-12(9-11)20(22)23/h4-9H,1-3H3,(H2,18,19,21,27)
InChIKey
AIZQFUBGAXWJJX-UHFFFAOYSA-N
Synonyms
74717-16-1
1(3NITROPHENYL)3(345TRIMETHOXYBENZOYL)THIOUREA
345TRIMETHOXYN((3NITROPHENYL)CARBAMOTHIOYL)BENZAMIDE
74717161
BENZAMIDE345TRIMETHOXYN(((3NITROPHENYL)AMINO)THIOXOMETHYL)
COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=CC=C2)(N+)(=O)(O)
COc1cc(cc(c1OC)OC)C(=O)NC(=S)Nc1cccc(c1)(N+)(=O)(O)
InChI=1SC17H17N3O6Sc12413710(814(252)15(13)263)16(21)1917(27)181154612(911)20(22)23h49H13H3(H218192127)
MFCD02578032
N(((3NITROPHENYL)AMINO)THIOXOMETHYL)(345TRIMETHOXYPHENYL)CARBOXAMIDE
N(3NITROPHENYL)N(345TRIMETHOXYBENZOYL)THIOUREA
STK005707
ZINC000000881786
ZINC00881786
ZINC881786

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Available files

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