Vitas-M small molecule compound

methyl 4-{[(2E)-3-(naphthalen-1-yl)prop-2-enoyl]amino}benzoate

Catalog ID
STK080812
SMILES COC(=O)c1ccc(cc1)NC(=O)/C=C/c1cccc2c1cccc2

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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 C21H17NO3 MW 331.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO3/c1-25-21(24)17-9-12-18(13-10-17)22-20(23)14-11-16-7-4-6-15-5-2-3-8-19(15)16/h2-14H,1H3,(H,22,23)/b14-11+
InChIKey
KQHDMLHOFWKRLZ-SDNWHVSQSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC=CC3=CC=CC=C32
COC(=O)c1ccc(cc1)NC(=O)C=Cc1cccc2c1cccc2
InChI=1SC21H17NO3c12521(24)1791218(131017)2220(23)14111674615523819(15)16h214H1H3(H2223)b1411+
METHYL4(((2E)3(NAPHTHALEN1YL)PROP2ENOYL)AMINO)BENZOATE
METHYL4(((E)3NAPHTHALEN1YLPROP2ENOYL)AMINO)BENZOATE
METHYL4((2E)3NAPHTHYLPROP2ENOYLAMINO)BENZOATE
METHYL4((3(1NAPHTHYL)ACRYLOYL)AMINO)BENZOATE
MFCD02603212
STK080812
ZINC000000357617
ZINC00357617
ZINC357617

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Available files

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