Vitas-M small molecule compound
(8S,8aR)-6-amino-8-[3-(methylsulfanyl)phenyl]-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK674168
SMILES CCCN1CC=C2[C@H](C1)[C@@H](c1cccc(c1)SC)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 C22H23N5S MW 389.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5S/c1-3-8-27-9-7-17-18(11-23)21(26)22(13-24,14-25)20(19(17)12-27)15-5-4-6-16(10-15)28-2/h4-7,10,19-20H,3,8-9,12,26H2,1-2H3/t19-,20+/m0/s1InChIKey
OGSLPWOKGZZRMP-VQTJNVASSA-NSynonyms
(8S8aR)6amino8(3(methylsulfanyl)phenyl)2propyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8S8aR)6amino8(3methylsulfanylphenyl)2propyl1388atetrahydroisoquinoline577tricarbonitrile
CCCN1CC=C2(C@H)(C1)(C@@H)(c1cccc(c1)SC)C(C(=C2C#N)N)(C#N)C#N
CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)SC
InChI=1SC22H23N5Sc13827971718(1123)21(26)22(13241425)20(19(17)1227)1554616(1015)282h47101920H3891226H212H3t1920+m0s1
ZINC000004457892
ZINC04457892
ZINC4457892
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