Vitas-M small molecule compound
(8S,8aR)-6-amino-8-(biphenyl-4-yl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK806136
SMILES CCCN1CC=C2[C@H](C1)[C@@H](c1ccc(cc1)c1ccccc1)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 C27H25N5 MW 419.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5/c1-2-13-32-14-12-22-23(15-28)26(31)27(17-29,18-30)25(24(22)16-32)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-12,24-25H,2,13-14,16,31H2,1H3/t24-,25+/m0/s1InChIKey
DROXBMLRBYRORR-LOSJGSFVSA-NSynonyms
351449-30-4(8S8aR)6amino8(4phenylphenyl)2propyl1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)6amino8(biphenyl4yl)2propyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8S8aR)8((11biphenyl)4yl)6amino2propyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
351449304
CCCN1CC=C2(C@H)(C1)(C@@H)(c1ccc(cc1)c1ccccc1)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)C4=CC=CC=C4
InChI=1SC27H25N5c12133214122223(1528)26(31)27(17291830)25(24(22)1632)2110820(91121)196435719h3122425H213141631H21H3t2425+m0s1
ZINC000004473451
ZINC04473451
ZINC4473451
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