Vitas-M small molecule compound
4-{[(7-bromo-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid
Catalog ID
STL017948
SMILES Brc1ccc2c(c1)C(=O)OC(C2)(C)C(=O)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 C18H14BrNO5 MW 404.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14BrNO5/c1-18(9-11-2-5-12(19)8-14(11)16(23)25-18)17(24)20-13-6-3-10(4-7-13)15(21)22/h2-8H,9H2,1H3,(H,20,24)(H,21,22)InChIKey
KCXOQCFUICLLNQ-UHFFFAOYSA-NSynonyms
4(((7bromo3methyl1oxo34dihydro1Hisochromen3yl)carbonyl)amino)benzoicacid
4((7bromo3methyl1oxo4Hisochromene3carbonyl)amino)benzoicacid
4((7BROMO3METHYL1OXOISOCHROMAN3YL)CARBONYLAMINO)BENZOICACID
CC1(CC2=C(C=C(C=C2)Br)C(=O)O1)C(=O)NC3=CC=C(C=C3)C(=O)O
InChI=1SC18H14BrNO5c118(9112512(19)814(11)16(23)2518)17(24)20136310(4713)15(21)22h28H9H21H3(H2024)(H2122)
MFCD09980577
ZINC000011666703
ZINC000011666704
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