Vitas-M small molecule compound
2-{[(4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)carbonyl]amino}benzoic acid
Catalog ID
STL236175
SMILES O=C(c1oc2c(c1C)C(O)CC(C2)(C)C)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 C19H21NO5 MW 343.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO5/c1-10-15-13(21)8-19(2,3)9-14(15)25-16(10)17(22)20-12-7-5-4-6-11(12)18(23)24/h4-7,13,21H,8-9H2,1-3H3,(H,20,22)(H,23,24)InChIKey
HAPAVTRQHOXCFX-UHFFFAOYSA-NSynonyms
912909-42-32(((4hydroxy366trimethyl4567tetrahydro1benzofuran2yl)carbonyl)amino)benzoicacid
2((4hydroxy366trimethyl57dihydro4H1benzofuran2carbonyl)amino)benzoicacid
2(4hydroxy366trimethyl4567tetrahydrobenzofuran2carboxamido)benzoicacid
912909423
CC1=C(OC2=C1C(CC(C2)(C)C)O)C(=O)NC3=CC=CC=C3C(=O)O
InChI=1SC19H21NO5c1101513(21)819(23)914(15)2516(10)17(22)2012754611(12)18(23)24h471321H89H213H3(H2022)(H2324)
MFCD09846234
ZINC000009548013
ZINC000009548014
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