Vitas-M small molecule compound

dibenzyl 6-amino-5,7,7-tricyano-1,3,7,8a-tetrahydro-1'H,2H-spiro[isoquinoline-8,4'-piperidine]-1',2-dicarboxylate

Catalog ID
STK096635
SMILES N#CC1=C(N)C(C2(C3C1=CCN(C3)C(=O)OCc1ccccc1)CCN(CC2)C(=O)OCc1ccccc1)(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 C32H30N6O4 MW 562.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N6O4/c33-17-26-25-11-14-38(30(40)42-20-24-9-5-2-6-10-24)18-27(25)31(32(21-34,22-35)28(26)36)12-15-37(16-13-31)29(39)41-19-23-7-3-1-4-8-23/h1-11,27H,12-16,18-20,36H2
InChIKey
ZVTLAUWVIYEDOG-UHFFFAOYSA-N
Synonyms

C1CN(CCC12C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5
dibenzyl6amino577tricyano1378atetrahydro1H2Hspiro(isoquinoline84piperidine)12dicarboxylate
dibenzyl6amino577tricyano78adihydro1Hspiro(isoquinoline84piperidine)12(3H)dicarboxylate
DIBENZYL6AMINO577TRICYANOSPIRO(38ADIHYDRO1HISOQUINOLINE84PIPERIDINE)12DICARBOXYLATE
InChI=1SC32H30N6O4c33172625111438(30(40)42202495261024)1827(25)31(32(21342235)28(26)36)121537(161331)29(39)4119237314823h11127H1216182036H2
MFCD01854047
N#CC1=C(N)C(C2(C3C1=CCN(C3)C(=O)OCc1ccccc1)CCN(CC2)C(=O)OCc1ccccc1)(C#N)C#N
STK096635
ZINC000002118158
ZINC000002596739

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Available files

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