Vitas-M small molecule compound

1-(2,4-dichlorophenyl)-3-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]urea

Catalog ID
STK534810
SMILES O=C(NC(C(Cl)(Cl)Cl)CC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1Cl)Cl

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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 C17H12Cl5N3O4 MW 499.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12Cl5N3O4/c18-10-3-6-13(12(19)7-10)23-16(27)24-15(17(20,21)22)8-14(26)9-1-4-11(5-2-9)25(28)29/h1-7,15H,8H2,(H2,23,24,27)
InChIKey
FAYLIQXDEIYZNL-UHFFFAOYSA-N
Synonyms
372087-70-2
1(24dichlorophenyl)3(111trichloro4(4nitrophenyl)4oxobutan2yl)urea
372087702
C1=CC(=CC=C1C(=O)CC(C(Cl)(Cl)Cl)NC(=O)NC2=C(C=C(C=C2)Cl)Cl)(N+)(=O)(O)
InChI=1SC17H12Cl5N3O4c18103613(12(19)710)2316(27)2415(17(2021)22)814(26)91411(529)25(28)29h1715H8H2(H2232427)
MFCD01086446
O=C(NC(C(Cl)(Cl)Cl)CC(=O)c1ccc(cc1)(N+)(=O)(O))Nc1ccc(cc1Cl)Cl
ZINC000002272084
ZINC000002272085

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Available files

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