Vitas-M small molecule compound
2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid
Catalog ID
STL017433
SMILES O=C1OC(C)(Cc2c1cccc2)C(=O)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 C18H15NO5 MW 325.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15NO5/c1-18(10-11-6-2-3-7-12(11)16(22)24-18)17(23)19-14-9-5-4-8-13(14)15(20)21/h2-9H,10H2,1H3,(H,19,23)(H,20,21)InChIKey
BJBBTJYRNGZMGF-UHFFFAOYSA-NSynonyms
864935-68-22(((3methyl1oxo34dihydro1Hisochromen3yl)carbonyl)amino)benzoicacid
2((3METHYL1OXO4HISOCHROMENE3CARBONYL)AMINO)BENZOICACID
2((3METHYL1OXOISOCHROMAN3YL)CARBONYLAMINO)BENZOICACID
2(3METHYL1OXOISOCHROMAN3CARBOXAMIDO)BENZOICACID
864935682
CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=CC=C3C(=O)O
InChI=1SC18H15NO5c118(1011623712(11)16(22)2418)17(23)1914954813(14)15(20)21h29H10H21H3(H1923)(H2021)
MFCD05847554
ZINC000002709872
ZINC000004195556
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