Vitas-M small molecule compound

ethyl 6-amino-8-(3-bromophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK526271
SMILES CCOC(=O)N1CC=C2C(C1)C(c1cccc(c1)Br)C(C(=C2C#N)N)(C#N)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 C21H18BrN5O2 MW 452.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN5O2/c1-2-29-20(28)27-7-6-15-16(9-23)19(26)21(11-24,12-25)18(17(15)10-27)13-4-3-5-14(22)8-13/h3-6,8,17-18H,2,7,10,26H2,1H3
InChIKey
BEWXKIPKSQXURN-UHFFFAOYSA-N
Synonyms
303142-20-3
303142203
CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)Br
ethyl6amino8(3bromophenyl)577tricyano1388atetrahydroisoquinoline2carboxylate
ethyl6amino8(3bromophenyl)577tricyano1788atetrahydroisoquinoline2(3H)carboxylate
ethyl6amino8(3bromophenyl)577tricyano3788atetrahydroisoquinoline2(1H)carboxylate
InChI=1SC21H18BrN5O2c122920(28)27761516(923)19(26)21(11241225)18(17(15)1027)1343514(22)813h3681718H271026H21H3
MFCD00848622
ZINC000008411500
ZINC000008411515

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Available files

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