Vitas-M small molecule compound

N-[(4-methoxyphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide

Catalog ID
STK068453
SMILES COc1ccc(cc1)NC(=S)NC(=O)c1cccc(c1C)[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 C16H15N3O4S MW 345.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O4S/c1-10-13(4-3-5-14(10)19(21)22)15(20)18-16(24)17-11-6-8-12(23-2)9-7-11/h3-9H,1-2H3,(H2,17,18,20,24)
InChIKey
GRRHIRIAIOKZEP-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC(=S)NC2=CC=C(C=C2)OC
COc1ccc(cc1)NC(=S)NC(=O)c1cccc(c1C)(N+)(=O)(O)
InChI=1SC16H15N3O4Sc11013(43514(10)19(21)22)15(20)1816(24)17116812(232)9711h39H12H3(H217182024)
MFCD03030759
N((4METHOXYPHENYL)CARBAMOTHIOYL)2METHYL3NITROBENZAMIDE
STK068453
ZINC000000457262
ZINC00457262
ZINC457262

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Available files

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