Vitas-M small molecule compound
benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK543959
SMILES COc1ccc(c(c1)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1)F
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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 C27H22FN5O3 MW 483.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22FN5O3/c1-35-18-7-8-23(28)20(11-18)24-22-13-33(26(34)36-14-17-5-3-2-4-6-17)10-9-19(22)21(12-29)25(32)27(24,15-30)16-31/h2-9,11,22,24H,10,13-14,32H2,1H3/t22-,24+/m0/s1InChIKey
RQMIJFNCXIQFAM-LADGPHEKSA-NSynonyms
494792-40-4(8R8aR)benzyl6amino577tricyano8(2fluoro5methoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
494792404
benzyl(8R8aR)6amino577tricyano8(2fluoro5methoxyphenyl)1388atetrahydroisoquinoline2carboxylate
benzyl(8R8aR)6amino577tricyano8(2fluoro5methoxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
COC1=CC(=C(C=C1)F)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC4=CC=CC=C4
COc1ccc(c(c1)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1)F
InChI=1SC27H22FN5O3c135187823(28)20(1118)24221333(26(34)3614175324617)10919(22)21(1229)25(32)27(241530)1631h29112224H10131432H21H3t2224+m0s1
MFCD18242117
ZINC000001259800
ZINC01259800
ZINC1259800
Check stock
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Check stock on Vitas-MAvailable files
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