Vitas-M small molecule compound
2-{[(2E)-1-(cyclohexylamino)-4-methoxy-1,4-dioxobut-2-en-2-yl]amino}benzoic acid
Catalog ID
STK646213
SMILES COC(=O)/C=C(\C(=O)NC1CCCCC1)/Nc1ccccc1C(=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 C18H22N2O5 MW 346.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O5/c1-25-16(21)11-15(17(22)19-12-7-3-2-4-8-12)20-14-10-6-5-9-13(14)18(23)24/h5-6,9-12,20H,2-4,7-8H2,1H3,(H,19,22)(H,23,24)/b15-11+InChIKey
HGHBUBMWVXUBQR-RVDMUPIBSA-NSynonyms
931962-05-9(E)2((1(cyclohexylamino)4methoxy14dioxobut2en2yl)amino)benzoicacid
2(((2E)1(cyclohexylamino)4methoxy14dioxobut2en2yl)amino)benzoicacid
2(((E)1(cyclohexylamino)4methoxy14dioxobut2en2yl)amino)benzoicacid
931962059
COC(=O)C=C(C(=O)NC1CCCCC1)Nc1ccccc1C(=O)O
COC(=O)C=C(C(=O)NC1CCCCC1)NC2=CC=CC=C2C(=O)O
InChI=1SC18H22N2O5c12516(21)1115(17(22)19127324812)20141065913(14)18(23)24h5691220H2478H21H3(H1922)(H2324)b1511+
MFCD12204269
ZINC000012324960
ZINC12324960
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