Vitas-M small molecule compound
3-methyl-N-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide
Catalog ID
STL069860
SMILES Cc1ccc(cc1)NC(=O)C1(C)OC(=O)c2c(C1)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 C18H17NO3 MW 295.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO3/c1-12-7-9-14(10-8-12)19-17(21)18(2)11-13-5-3-4-6-15(13)16(20)22-18/h3-10H,11H2,1-2H3,(H,19,21)InChIKey
IHHWKTAFFXOFHL-UHFFFAOYSA-NSynonyms
801227-73-63METHYL1OXOISOCHROMAN3CARBOXYLICACIDPTOLYLAMIDE
3methyl1oxoN(ptolyl)isochroman3carboxamide
3methylN(4methylphenyl)1oxo34dihydro1Hisochromene3carboxamide
3METHYLN(4METHYLPHENYL)1OXO4HISOCHROMENE3CARBOXAMIDE
801227736
CC1=CC=C(C=C1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C
InChI=1SC18H17NO3c1127914(10812)1917(21)18(2)1113534615(13)16(20)2218h310H11H212H3(H1921)
MFCD04168661
ZINC000000538681
ZINC000000538682
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