Vitas-M small molecule compound
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[3-ethoxy-4-(propan-2-yloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK542347
SMILES CCOc1cc(ccc1OC(C)C)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCC
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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 C26H29N5O4 MW 475.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O4/c1-5-33-22-11-17(7-8-21(22)35-16(3)4)23-20-13-31(25(32)34-6-2)10-9-18(20)19(12-27)24(30)26(23,14-28)15-29/h7-9,11,16,20,23H,5-6,10,13,30H2,1-4H3/t20-,23+/m0/s1InChIKey
ZUXPMPJPHIJOFZ-NZQKXSOJSA-NSynonyms
1164465-45-5(8S8aR)ethyl6amino577tricyano8(3ethoxy4isopropoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
1164465455
CCOC1=C(C=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC)OC(C)C
CCOc1cc(ccc1OC(C)C)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCC
ethyl(8S8aR)6amino577tricyano8(3ethoxy4(propan2yloxy)phenyl)3788atetrahydroisoquinoline2(1H)carboxylate
ethyl(8S8aR)6amino577tricyano8(3ethoxy4propan2yloxyphenyl)1388atetrahydroisoquinoline2carboxylate
InChI=1SC26H29N5O4c1533221117(7821(22)3516(3)4)23201331(25(32)3462)10918(20)19(1227)24(30)26(231428)1529h7911162023H56101330H214H3t2023+m0s1
MFCD18241986
ZINC000020081361
ZINC20081361
Check stock
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Check stock on Vitas-MAvailable files
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