Vitas-M small molecule compound

1-(3-chloro-4-methoxyphenyl)-3-(4-nitrophenyl)thiourea

Catalog ID
STK458224
SMILES COc1ccc(cc1Cl)NC(=S)Nc1ccc(cc1)[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 C14H12ClN3O3S MW 337.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12ClN3O3S/c1-21-13-7-4-10(8-12(13)15)17-14(22)16-9-2-5-11(6-3-9)18(19)20/h2-8H,1H3,(H2,16,17,22)
InChIKey
WGNJDSFFLAHFPZ-UHFFFAOYSA-N
Synonyms

((3CHLORO4METHOXYPHENYL)AMINO)((4NITROPHENYL)AMINO)METHANE1THIONE
1(3chloro4methoxyphenyl)3(4nitrophenyl)thiourea
COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)(N+)(=O)(O))Cl
COc1ccc(cc1Cl)NC(=S)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC14H12ClN3O3Sc121137410(812(13)15)1714(22)1692511(639)18(19)20h28H1H3(H2161722)
MFCD05989192
ZINC000004999095
ZINC04999095
ZINC4999095

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Available files

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