Vitas-M small molecule compound

ethyl 4-{[(2Z)-2-cyano-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)acetyl]amino}benzoate

Catalog ID
STK834328
SMILES CCOC(=O)c1ccc(cc1)NC(=O)/C(=C/1\NC(C)(C)Cc2c1cccc2)/C#N

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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 C23H23N3O3 MW 389.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O3/c1-4-29-22(28)15-9-11-17(12-10-15)25-21(27)19(14-24)20-18-8-6-5-7-16(18)13-23(2,3)26-20/h5-12,26H,4,13H2,1-3H3,(H,25,27)/b20-19-
InChIKey
GZNBKIUMIZHMEY-VXPUYCOJSA-N
Synonyms
149652-16-4
(Z)ethyl4(2cyano2(33dimethyl34dihydroisoquinolin1(2H)ylidene)acetamido)benzoate
149652164
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=C2C3=CC=CC=C3CC(N2)(C)C)C#N
CCOC(=O)c1ccc(cc1)NC(=O)C(=C1NC(C)(C)Cc2c1cccc2)C#N
ETHYL4(((2Z)2CYANO2(33DIMETHYL24DIHYDROISOQUINOLIN1YLIDENE)ACETYL)AMINO)BENZOATE
ethyl4(((2Z)2cyano2(33dimethyl34dihydroisoquinolin1(2H)ylidene)acetyl)amino)benzoate
ETHYL4(2(33DIMETHYL(234TRIHYDROISOQUINOLYLIDENE))2CYANOACETYLAMINO)BENZOATE
InChI=1SC23H23N3O3c142922(28)1591117(121015)2521(27)19(1424)2018865716(18)1323(23)2620h51226H413H213H3(H2527)b2019
MFCD00608436
ZINC000019205298
ZINC19205298

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Available files

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