Vitas-M small molecule compound
(8R,8aS)-6-amino-7,7-dicyano-2-methyl-8-(4-nitrophenyl)-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylic acid
Catalog ID
STK673078
SMILES N#CC1(C#N)[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H]2CN(C)CC=C2C(=C1N)C(=O)O
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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 C19H17N5O4 MW 379.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5O4/c1-23-7-6-13-14(8-23)16(11-2-4-12(5-3-11)24(27)28)19(9-20,10-21)17(22)15(13)18(25)26/h2-6,14,16H,7-8,22H2,1H3,(H,25,26)/t14-,16+/m1/s1InChIKey
SMSJFGLOHGWJKB-ZBFHGGJFSA-NSynonyms
(8R8aS)6amino77dicyano2methyl8(4nitrophenyl)123788ahexahydroisoquinoline5carboxylicacid
(8R8aS)6amino77dicyano2methyl8(4nitrophenyl)2388atetrahydro1Hisoquinolin2ium5carboxylate
C(NH+)1CC=C2C(C1)C(C(C(=C2C(=O)(O))N)(C#N)C#N)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC19H17N5O4c123761314(823)16(112412(5311)24(27)28)19(9201021)17(22)15(13)18(25)26h261416H7822H21H3(H2526)t1416+m1s1
MFCD18246852
N#CC1(C#N)(C@@H)(c2ccc(cc2)(N+)(=O)(O))(C@@H)2CN(C)CC=C2C(=C1N)C(=O)O
ZINC000020477635
ZINC20477635
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