Vitas-M small molecule compound
2-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-3-(1H-imidazol-3-ium-4-yl)propanoate
Catalog ID
STL528551
SMILES [O-]C(=O)C(Cc1c[nH]c[nH+]1)NC1=C(Cl)C(=O)c2c(C1=O)cccc2
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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 C16H12ClN3O4 MW 345.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O4/c17-12-13(15(22)10-4-2-1-3-9(10)14(12)21)20-11(16(23)24)5-8-6-18-7-19-8/h1-4,6-7,11,20H,5H2,(H,18,19)(H,23,24)InChIKey
YSRPSUMWIXTGBH-UHFFFAOYSA-NSynonyms
2((3chloro14dioxo14dihydronaphthalen2yl)amino)3(1Himidazol3ium4yl)propanoate
2((3chloro14dioxonaphthalen2yl)amino)3(1~(H)imidazol3ium5yl)propanoate
2((3CHLORO14DIOXONAPHTHALEN2YL)AMINO)3(1HIMIDAZOL3IUM5YL)PROPANOATE
4026525
InChI=1SC16H12ClN3O4c171213(15(22)1042139(10)14(12)21)2011(16(23)24)586187198h14671120H5H2(H1819)(H2324)
MFCD03798060
ZINC000001321574
ZINC000020113360
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