Vitas-M small molecule compound

pyridin-3-yl 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate

Catalog ID
STK590484
SMILES O=C(c1oc2c(c1C)C(=O)CC(C2)(C)C)Oc1cccnc1

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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 C17H17NO4 MW 299.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO4/c1-10-14-12(19)7-17(2,3)8-13(14)22-15(10)16(20)21-11-5-4-6-18-9-11/h4-6,9H,7-8H2,1-3H3
InChIKey
VGZQJHGSNSGXSG-UHFFFAOYSA-N
Synonyms
879914-94-0
3PYRIDYL366TRIMETHYL4OXO567TRIHYDROBENZO(21D)FURAN2CARBOXYLATE
879914940
CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)OC3=CN=CC=C3
InChI=1SC17H17NO4c1101412(19)717(23)813(14)2215(10)16(20)211154618911h469H78H213H3
MFCD06643771
pyridin3yl366trimethyl4oxo4567tetrahydro1benzofuran2carboxylate
pyridin3yl366trimethyl4oxo4567tetrahydrobenzofuran2carboxylate
PYRIDIN3YL366TRIMETHYL4OXO57DIHYDRO1BENZOFURAN2CARBOXYLATE
ZINC000005324958
ZINC05324958
ZINC5324958

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Available files

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