Vitas-M small molecule compound
methyl 4-[(1E)-2-cyano-4,4-dimethyl-3-oxopent-1-en-1-yl]benzoate
Catalog ID
STK415177
SMILES N#C/C(=C\c1ccc(cc1)C(=O)OC)/C(=O)C(C)(C)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/c1-16(2,3)14(18)13(10-17)9-11-5-7-12(8-6-11)15(19)20-4/h5-9H,1-4H3/b13-9+InChIKey
SWPFMOGPLAARRE-UKTHLTGXSA-NSynonyms
329780-76-9329780769
4(2CYANO3OXO44DIMETHYL1PENTENYL)BENZOICACIDMETHYLESTER
CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)C(=O)OC)C#N
InChI=1SC16H17NO3c116(23)14(18)13(1017)9115712(8611)15(19)204h59H14H3b139+
methyl4((1E)2cyano44dimethyl3oxopent1en1yl)benzoate
METHYL4((E)2CYANO44DIMETHYL3OXO1PENTENYL)BENZENECARBOXYLATE
METHYL4((E)2CYANO44DIMETHYL3OXOPENT1ENYL)BENZOATE
MFCD00245444
N#CC(=Cc1ccc(cc1)C(=O)OC)C(=O)C(C)(C)C
ZINC000002561757
ZINC02561757
ZINC2561757
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