Vitas-M small molecule compound
3-(2-amino-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-benzofuran-1(3H)-one
Catalog ID
STK256370
SMILES NC1=C(C(=O)CC(C1)(C)C)C1OC(=O)c2c1cccc2
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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 C16H17NO3 MW 271.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO3/c1-16(2)7-11(17)13(12(18)8-16)14-9-5-3-4-6-10(9)15(19)20-14/h3-6,14H,7-8,17H2,1-2H3InChIKey
PTJYRRSMZXIMDV-UHFFFAOYSA-NSynonyms
3(2amino44dimethyl6oxocyclohex1en1yl)2benzofuran1(3H)one
3(2amino44dimethyl6oxocyclohexen1yl)3H2benzofuran1one
3(6AMINO44DIMETHYL2OXOCYCLOHEX1(6)ENYL)3HYDROISOBENZOFURAN1ONE
CC1(CC(=C(C(=O)C1)C2C3=CC=CC=C3C(=O)O2)N)C
InChI=1SC16H17NO3c116(2)711(17)13(12(18)816)149534610(9)15(19)2014h3614H7817H212H3
MFCD08685657
ZINC000009355654
ZINC000009356263
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