Vitas-M small molecule compound
ethyl (8R,8aR)-6-amino-8-{2-[(4-chlorobenzyl)oxy]phenyl}-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK542890
SMILES CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccccc1OCc1ccc(cc1)Cl)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 C28H24ClN5O3 MW 513.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClN5O3/c1-2-36-27(35)34-12-11-20-22(13-30)26(33)28(16-31,17-32)25(23(20)14-34)21-5-3-4-6-24(21)37-15-18-7-9-19(29)10-8-18/h3-11,23,25H,2,12,14-15,33H2,1H3/t23-,25+/m0/s1InChIKey
VJSUEXUQYZNSFL-UKILVPOCSA-NSynonyms
488783-77-3(8R8aR)ethyl6amino8(2((4chlorobenzyl)oxy)phenyl)577tricyano1788atetrahydroisoquinoline2(3H)carboxylate
488783773
CCOC(=O)N1CC=C2(C@H)(C1)(C@@H)(c1ccccc1OCc1ccc(cc1)Cl)C(C(=C2C#N)N)(C#N)C#N
CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl
ethyl(8R8aR)6amino8(2((4chlorobenzyl)oxy)phenyl)577tricyano3788atetrahydroisoquinoline2(1H)carboxylate
ethyl(8R8aR)6amino8(2((4chlorophenyl)methoxy)phenyl)577tricyano1388atetrahydroisoquinoline2carboxylate
InChI=1SC28H24ClN5O3c123627(35)3412112022(1330)26(33)28(16311732)25(23(20)1434)21534624(21)3715187919(29)10818h3112325H212141533H21H3t2325+m0s1
MFCD18242033
ZINC000008411425
ZINC08411425
ZINC8411425
Check stock
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Check stock on Vitas-MAvailable files
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