Vitas-M small molecule compound

methyl 4-[(E)-(3-oxo-6,7,8,9-tetrahydro-3H-imidazo[1,2-a]azepin-2(5H)-ylidene)methyl]benzoate

Catalog ID
STK768961
SMILES COC(=O)c1ccc(cc1)/C=C\1/N=C2N(C1=O)CCCCC2

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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 C17H18N2O3 MW 298.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O3/c1-22-17(21)13-8-6-12(7-9-13)11-14-16(20)19-10-4-2-3-5-15(19)18-14/h6-9,11H,2-5,10H2,1H3/b14-11+
InChIKey
KZZVGTFNIUAIEA-SDNWHVSQSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N3CCCCCC3=N2
COC(=O)c1ccc(cc1)C=C1N=C2N(C1=O)CCCCC2
InChI=1SC17H18N2O3c12217(21)138612(7913)111416(20)1910423515(19)1814h6911H2510H21H3b1411+
methyl4((E)(3oxo6789tetrahydro3Himidazo(12a)azepin2(5H)ylidene)methyl)benzoate
methyl4((E)(3oxo6789tetrahydro5Himidazo(12a)azepin2ylidene)methyl)benzoate
MFCD03408194
ZINC000000093560
ZINC00093560
ZINC93560

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Available files

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