Vitas-M small molecule compound
ethyl 3-amino-2,4-dicyano-1-phenyl-1,2,6,7,8,8a-hexahydronaphthalene-2-carboxylate
Catalog ID
STK723477
SMILES CCOC(=O)C1(C#N)C(c2ccccc2)C2CCCC=C2C(=C1N)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 C21H21N3O2 MW 347.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2/c1-2-26-20(25)21(13-23)18(14-8-4-3-5-9-14)16-11-7-6-10-15(16)17(12-22)19(21)24/h3-5,8-10,16,18H,2,6-7,11,24H2,1H3InChIKey
OLUGSZUWEAVXBJ-UHFFFAOYSA-NSynonyms
77198-36-877198368
CCOC(=O)C1(C(C2CCCC=C2C(=C1N)C#N)C3=CC=CC=C3)C#N
ethyl3amino24dicyano1phenyl126788ahexahydronaphthalene2carboxylate
ethyl3amino24dicyano1phenyl6788atetrahydro1Hnaphthalene2carboxylate
InChI=1SC21H21N3O2c122620(25)21(1323)18(148435914)1611761015(16)17(1222)19(21)24h358101618H2671124H21H3
MFCD00476583
ZINC000019855570
ZINC000239378240
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