Vitas-M small molecule compound

(8R,8aS)-6-amino-8-(4-nitrophenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

Catalog ID
STK747211
SMILES CCCN1CC=C2[C@@H](C1)[C@H](c1ccc(cc1)[N+](=O)[O-])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 C21H20N6O2 MW 388.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O2/c1-2-8-26-9-7-16-17(10-22)20(25)21(12-23,13-24)19(18(16)11-26)14-3-5-15(6-4-14)27(28)29/h3-7,18-19H,2,8-9,11,25H2,1H3/t18-,19+/m1/s1
InChIKey
JLDZPQMAJAQKFG-MOPGFXCFSA-N
Synonyms

(8R8aS)6amino8(4nitrophenyl)2propyl1388atetrahydroisoquinoline577tricarbonitrile
(8R8aS)6amino8(4nitrophenyl)2propyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
CCCN1CC=C2(C@@H)(C1)(C@H)(c1ccc(cc1)(N+)(=O)(O))C(C(=C2C#N)N)(C#N)C#N
CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H20N6O2c12826971617(1022)20(25)21(12231324)19(18(16)1126)143515(6414)27(28)29h371819H2891125H21H3t1819+m1s1
MFCD01244574
ZINC000004123648
ZINC04123648
ZINC4123648

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Available files

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