Vitas-M small molecule compound
(8R,8aR)-6-amino-8-(2,3-dimethoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK052368
SMILES CCN1CC=C2[C@H](C1)[C@@H](c1cccc(c1OC)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 C22H23N5O2 MW 389.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2/c1-4-27-9-8-14-16(10-23)21(26)22(12-24,13-25)19(17(14)11-27)15-6-5-7-18(28-2)20(15)29-3/h5-8,17,19H,4,9,11,26H2,1-3H3/t17-,19+/m0/s1InChIKey
CAGKUPBBGYWKDZ-PKOBYXMFSA-NSynonyms
302778-09-2(8R8aR)6amino8(23dimethoxyphenyl)2ethyl1388atetrahydroisoquinoline577tricarbonitrile
(8R8aR)6amino8(23dimethoxyphenyl)2ethyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
302778092
CCN1CC=C2(C@H)(C1)(C@@H)(c1cccc(c1OC)OC)C(C(=C2C#N)N)(C#N)C#N
CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C(=CC=C3)OC)OC
InChI=1SC22H23N5O2c1427981416(1023)21(26)22(12241325)19(17(14)1127)1565718(282)20(15)293h581719H491126H213H3t1719+m0s1
STK052368
ZINC000004102676
ZINC04102676
ZINC4102676
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