Vitas-M small molecule compound
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea
Catalog ID
STK455671
SMILES COc1cc(ccc1NC(=S)Nc1ccc(c(c1)Cl)OC(F)F)[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 C15H12ClF2N3O4S MW 403.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12ClF2N3O4S/c1-24-13-7-9(21(22)23)3-4-11(13)20-15(26)19-8-2-5-12(10(16)6-8)25-14(17)18/h2-7,14H,1H3,(H2,19,20,26)InChIKey
VRKJTOFTBBOIGT-UHFFFAOYSA-NSynonyms
((4(DIFLUOROMETHOXY)3CHLOROPHENYL)AMINO)((2METHOXY4NITROPHENYL)AMINO)METHANE1THIONE
1(3chloro4(difluoromethoxy)phenyl)3(2methoxy4nitrophenyl)thiourea
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=S)NC2=CC(=C(C=C2)OC(F)F)Cl
COc1cc(ccc1NC(=S)Nc1ccc(c(c1)Cl)OC(F)F)(N+)(=O)(O)
InChI=1SC15H12ClF2N3O4Sc1241379(21(22)23)3411(13)2015(26)1982512(10(16)68)2514(17)18h2714H1H3(H2192026)
MFCD04228587
ZINC000005041703
ZINC05041703
ZINC5041703
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