Vitas-M small molecule compound

benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-nitrophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK024772
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)[N+](=O)[O-])(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 C26H20N6O4 MW 480.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N6O4/c27-12-21-20-10-11-31(25(33)36-14-17-4-2-1-3-5-17)13-22(20)23(26(15-28,16-29)24(21)30)18-6-8-19(9-7-18)32(34)35/h1-10,22-23H,11,13-14,30H2/t22-,23+/m0/s1
InChIKey
DMERSPWLMYWCRX-XZOQPEGZSA-N
Synonyms
303980-19-0
(8S8aR)benzyl6amino577tricyano8(4nitrophenyl)1788atetrahydroisoquinoline2(3H)carboxylate
303980190
benzyl(8S8aR)6amino577tricyano8(4nitrophenyl)1388atetrahydroisoquinoline2carboxylate
benzyl(8S8aR)6amino577tricyano8(4nitrophenyl)3788atetrahydroisoquinoline2(1H)carboxylate
C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC26H20N6O4c27122120101131(25(33)3614174213517)1322(20)23(26(15281629)24(21)30)186819(9718)32(34)35h1102223H11131430H2t2223+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)(N+)(=O)(O))(C#N)C#N
STK024772
ZINC000008896269
ZINC08896269
ZINC8896269

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Available files

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