Vitas-M small molecule compound
(8S,8aR)-2-acetyl-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK544882
SMILES CCCOc1ccc(cc1OCC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C
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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 C25H27N5O3 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O3/c1-4-10-33-21-7-6-17(11-22(21)32-5-2)23-20-13-30(16(3)31)9-8-18(20)19(12-26)24(29)25(23,14-27)15-28/h6-8,11,20,23H,4-5,9-10,13,29H2,1-3H3/t20-,23+/m0/s1InChIKey
OWDHEPHNHMPUAQ-NZQKXSOJSA-NSynonyms
494792-16-4(8S8aR)2acetyl6amino8(3ethoxy4propoxyphenyl)1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)2acetyl6amino8(3ethoxy4propoxyphenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
494792164
CCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)C)OCC
CCCOc1ccc(cc1OCC)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)C
InChI=1SC25H27N5O3c141033217617(1122(21)3252)23201330(16(3)31)9818(20)19(1226)24(29)25(231427)1528h68112023H459101329H213H3t2023+m0s1
MFCD18242184
ZINC000001894287
ZINC01894287
ZINC1894287
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