Vitas-M small molecule compound

4-(benzylamino)-6-methyl-3-propanoyl-2H-pyran-2-one

Catalog ID
STK779940
SMILES CCC(=O)c1c(NCc2ccccc2)cc(oc1=O)C

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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/c1-3-14(18)15-13(9-11(2)20-16(15)19)17-10-12-7-5-4-6-8-12/h4-9,17H,3,10H2,1-2H3
InChIKey
YDGQXVINDHNGRX-UHFFFAOYSA-N
Synonyms

2HPYRAN2ONE6METHYL3(1OXOPROPYL)4((PHENYLMETHYL)AMINO)
3PROPANOYL4(BENZYLAMINO)6METHYL2HPYRAN2ONE
4(benzylamino)6methyl3propanoyl2Hpyran2one
4(BENZYLAMINO)6METHYL3PROPANOYLPYRAN2ONE
6METHYL4(BENZYLAMINO)3PROPANOYLPYRAN2ONE
CCC(=O)C1=C(C=C(OC1=O)C)NCC2=CC=CC=C2
InChI=1SC16H17NO3c1314(18)1513(911(2)2016(15)19)1710127546812h4917H310H212H3
MFCD05859519
ZINC000001430490
ZINC01430490
ZINC1430490

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Available files

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