Vitas-M small molecule compound
ethyl 2-ethyl-4-(3-iodophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL429948
SMILES CCOC(=O)C1=C(CC)NC2=C(C1c1cccc(c1)I)C(=O)CCC2
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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 C20H22INO3 MW 451.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22INO3/c1-3-14-19(20(24)25-4-2)17(12-7-5-8-13(21)11-12)18-15(22-14)9-6-10-16(18)23/h5,7-8,11,17,22H,3-4,6,9-10H2,1-2H3InChIKey
GHPPWSCTHGRUTD-UHFFFAOYSA-NSynonyms
CCC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)I)C(=O)OCC
ethyl2ethyl4(3iodophenyl)5oxo145678hexahydroquinoline3carboxylate
ethyl2ethyl4(3iodophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC20H22INO3c131419(20(24)2542)17(1275813(21)1112)1815(2214)961016(18)23h578111722H346910H212H3
MFCD00619606
ZINC000000725290
ZINC000000725291
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