Vitas-M small molecule compound

4-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid

Catalog ID
STK740820
SMILES O=C(C1(C)OC(=O)c2c(C1)cccc2)Nc1ccc(cc1)C(=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(10-12-4-2-3-5-14(12)16(22)24-18)17(23)19-13-8-6-11(7-9-13)15(20)21/h2-9H,10H2,1H3,(H,19,23)(H,20,21)
InChIKey
WNTDPBCUGOSWFA-UHFFFAOYSA-N
Synonyms
900281-84-7
4(((3methyl1oxo34dihydro1Hisochromen3yl)carbonyl)amino)benzoicacid
4((3METHYL1OXO4HISOCHROMENE3CARBONYL)AMINO)BENZOICACID
4(3METHYL1OXOISOCHROMAN3CARBOXAMIDO)BENZOICACID
900281847
CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=C(C=C3)C(=O)O
InChI=1SC18H15NO5c118(1012423514(12)16(22)2418)17(23)19138611(7913)15(20)21h29H10H21H3(H1923)(H2021)
MFCD06772712
ZINC000005032264
ZINC000005240625

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.