Vitas-M small molecule compound
1-(2-ethylhexyl)-3-(3-nitrophenyl)thiourea
Catalog ID
STK493688
SMILES CCCCC(CNC(=S)Nc1cccc(c1)[N+](=O)[O-])CC
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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 C15H23N3O2S MW 309.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H23N3O2S/c1-3-5-7-12(4-2)11-16-15(21)17-13-8-6-9-14(10-13)18(19)20/h6,8-10,12H,3-5,7,11H2,1-2H3,(H2,16,17,21)InChIKey
BMMWFKUOSAOHDT-UHFFFAOYSA-NSynonyms
((2ETHYLHEXYL)AMINO)((3NITROPHENYL)AMINO)METHANE1THIONE
1(2ethylhexyl)3(3nitrophenyl)thiourea
CCCCC(CC)CNC(=S)NC1=CC(=CC=C1)(N+)(=O)(O)
CCCCC(CNC(=S)Nc1cccc(c1)(N+)(=O)(O))CC
InChI=1SC15H23N3O2Sc135712(42)111615(21)171386914(1013)18(19)20h681012H35711H212H3(H2161721)
MFCD05079966
ZINC000007350677
ZINC000007350682
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