Vitas-M small molecule compound
benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-fluorophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK029796
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)F)(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 C26H20FN5O2 MW 453.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20FN5O2/c27-19-8-6-18(7-9-19)23-22-13-32(25(33)34-14-17-4-2-1-3-5-17)11-10-20(22)21(12-28)24(31)26(23,15-29)16-30/h1-10,22-23H,11,13-14,31H2/t22-,23+/m0/s1InChIKey
XVTWXSQLOHLZOW-XZOQPEGZSA-NSynonyms
303984-01-2(8S8aR)benzyl6amino577tricyano8(4fluorophenyl)1788atetrahydroisoquinoline2(3H)carboxylate
303984012
benzyl(8S8aR)6amino577tricyano8(4fluorophenyl)1388atetrahydroisoquinoline2carboxylate
benzyl(8S8aR)6amino577tricyano8(4fluorophenyl)3788atetrahydroisoquinoline2(1H)carboxylate
C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=C(C=C4)F
InChI=1SC26H20FN5O2c27198618(7919)23221332(25(33)3414174213517)111020(22)21(1228)24(31)26(231529)1630h1102223H11131431H2t2223+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)F)(C#N)C#N
STK029796
ZINC000008951374
ZINC08951374
ZINC8951374
Check stock
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