Vitas-M small molecule compound

2-amino-3-[2-(3,4-dichlorophenyl)-2-oxoethyl]-1-methyl-5-(3-nitrophenyl)-1H-imidazol-3-ium

Catalog ID
STK116358
SMILES O=C(c1ccc(c(c1)Cl)Cl)C[n+]1cc(n(c1N)C)c1cccc(c1)[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 C18H15Cl2N4O3 MW 406.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14Cl2N4O3/c1-22-16(11-3-2-4-13(7-11)24(26)27)9-23(18(22)21)10-17(25)12-5-6-14(19)15(20)8-12/h2-9,21H,10H2,1H3/p+1
InChIKey
XSJCUOLCEOBSJF-UHFFFAOYSA-O
Synonyms

2(2AMINO3METHYL4(3NITROPHENYL)IMIDAZOL1IUM1YL)1(34DICHLOROPHENYL)ETHANONE
2AMINO3(2(34DICHLOROPHENYL)2OXOETHYL)1METHYL5(3NITROPHENYL)1HIMIDAZOL3IUM
CN1C(=C(N+)(=C1N)CC(=O)C2=CC(=C(C=C2)Cl)Cl)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC18H14Cl2N4O3c12216(1132413(711)24(26)27)923(18(22)21)1017(25)125614(19)15(20)812h2921H10H21H3p+1
MFCD09267380
O=C(c1ccc(c(c1)Cl)Cl)C(n+)1cc(n(c1N)C)c1cccc(c1)(N+)(=O)(O)
ZINC000334157646
ZINC04690775
ZINC4690775

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Available files

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