Vitas-M small molecule compound

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

Catalog ID
STK014049
SMILES S=C(Nc1cc(ccc1C)[N+](=O)[O-])Nc1ccccc1

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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 C14H13N3O2S MW 287.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O2S/c1-10-7-8-12(17(18)19)9-13(10)16-14(20)15-11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,16,20)
InChIKey
SDHSUONIAWKDSC-UHFFFAOYSA-N
Synonyms

((2METHYL5NITROPHENYL)AMINO)(PHENYLAMINO)METHANE1THIONE
1(2METHYL5NITROPHENYL)3PHENYLTHIOUREA
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=S)NC2=CC=CC=C2
InChI=1SC14H13N3O2Sc1107812(17(18)19)913(10)1614(20)15115324611h29H1H3(H2151620)
MFCD01134313
N(2METHYL5NITROPHENYL)NPHENYLTHIOUREA
S=C(Nc1cc(ccc1C)(N+)(=O)(O))Nc1ccccc1
STK014049
ZINC000000054629
ZINC00054629
ZINC54629

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Available files

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