Vitas-M small molecule compound

1-(2-methoxy-5-nitrophenyl)-3-phenylthiourea

Catalog ID
STK091407
SMILES COc1ccc(cc1NC(=S)Nc1ccccc1)[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 C14H13N3O3S MW 303.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O3S/c1-20-13-8-7-11(17(18)19)9-12(13)16-14(21)15-10-5-3-2-4-6-10/h2-9H,1H3,(H2,15,16,21)
InChIKey
RKTJGJVSKQREKG-UHFFFAOYSA-N
Synonyms

1(2METHOXY5NITROPHENYL)3PHENYLTHIOUREA
COC1=C(C=C(C=C1)(N+)(=O)(O))NC(=S)NC2=CC=CC=C2
COc1ccc(cc1NC(=S)Nc1ccccc1)(N+)(=O)(O)
InChI=1SC14H13N3O3Sc120138711(17(18)19)912(13)1614(21)15105324610h29H1H3(H2151621)
MFCD01134316
N(2METHOXY5NITROPHENYL)NPHENYLTHIOUREA
N(5NITRO2METHOXYPHENYL)NPHENYLTHIOUREA
STK091407
ZINC000008579394
ZINC08579394
ZINC8579394

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Available files

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