Vitas-M small molecule compound
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4-dimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK699931
SMILES CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(c(c1)OC)OC)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 C23H23N5O4 MW 433.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O4/c1-4-32-22(29)28-8-7-15-16(10-24)21(27)23(12-25,13-26)20(17(15)11-28)14-5-6-18(30-2)19(9-14)31-3/h5-7,9,17,20H,4,8,11,27H2,1-3H3/t17-,20+/m0/s1InChIKey
IIJLFGCSSSNMSQ-FXAWDEMLSA-NSynonyms
302344-70-3(8S8aR)ethyl6amino577tricyano8(34dimethoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
302344703
CCOC(=O)N1CC=C2(C@H)(C1)(C@@H)(c1ccc(c(c1)OC)OC)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(=C(C=C3)OC)OC
ethyl(8S8aR)6amino577tricyano8(34dimethoxyphenyl)1388atetrahydroisoquinoline2carboxylate
ethyl(8S8aR)6amino577tricyano8(34dimethoxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
InChI=1SC23H23N5O4c143222(29)28871516(1024)21(27)23(12251326)20(17(15)1128)145618(302)19(914)313h5791720H481127H213H3t1720+m0s1
ZINC000006195030
ZINC06195030
ZINC6195030
Check stock
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Check stock on Vitas-MAvailable files
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