Vitas-M small molecule compound
[2-methyl-5-(prop-1-en-2-yl)cyclopent-1-en-1-yl]methyl 4-nitrobenzoate
Catalog ID
STK071373
SMILES CC(=C)C1CCC(=C1COC(=O)c1ccc(cc1)[N+](=O)[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 C17H19NO4 MW 301.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19NO4/c1-11(2)15-9-4-12(3)16(15)10-22-17(19)13-5-7-14(8-6-13)18(20)21/h5-8,15H,1,4,9-10H2,2-3H3InChIKey
KZPUDQPBYBIZAM-UHFFFAOYSA-NSynonyms
(2METHYL5(PROP1EN2YL)CYCLOPENT1EN1YL)METHYL4NITROBENZOATE
(2METHYL5PROP1EN2YLCYCLOPENTEN1YL)METHYL4NITROBENZOATE
CC(=C)C1CCC(=C1COC(=O)c1ccc(cc1)(N+)(=O)(O))C
CC1=C(C(CC1)C(=C)C)COC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC17H19NO4c111(2)159412(3)16(15)102217(19)135714(8613)18(20)21h5815H14910H223H3
MFCD01435246
STK071373
ZINC000000083537
ZINC000000083541
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