Vitas-M small molecule compound
benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4-dimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK025823
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(c(c1)OC)OC)(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 C28H25N5O4 MW 495.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N5O4/c1-35-23-9-8-19(12-24(23)36-2)25-22-14-33(27(34)37-15-18-6-4-3-5-7-18)11-10-20(22)21(13-29)26(32)28(25,16-30)17-31/h3-10,12,22,25H,11,14-15,32H2,1-2H3/t22-,25+/m0/s1InChIKey
ARNMALZVTLQLRL-WIOPSUGQSA-NSynonyms
303959-51-5(8S8aR)benzyl6amino577tricyano8(34dimethoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
303959515
benzyl(8S8aR)6amino577tricyano8(34dimethoxyphenyl)1388atetrahydroisoquinoline2carboxylate
benzyl(8S8aR)6amino577tricyano8(34dimethoxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
COC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC4=CC=CC=C4)OC
InChI=1SC28H25N5O4c135239819(1224(23)362)25221433(27(34)3715186435718)111020(22)21(1329)26(32)28(251630)1731h310122225H11141532H212H3t2225+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(c(c1)OC)OC)(C#N)C#N
STK025823
ZINC000019852038
ZINC19852038
Check stock
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Check stock on Vitas-MAvailable files
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