Vitas-M small molecule compound

6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

Catalog ID
STL002769
SMILES CCCCOc1ccc(cc1OC)C1C2CN(C)CC=C2C(=C(C1(C#N)C#N)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 C24H27N5O2 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O2/c1-4-5-10-31-20-7-6-16(11-21(20)30-3)22-19-13-29(2)9-8-17(19)18(12-25)23(28)24(22,14-26)15-27/h6-8,11,19,22H,4-5,9-10,13,28H2,1-3H3
InChIKey
HRWOJRUJRPECML-UHFFFAOYSA-N
Synonyms
445222-42-4
445222424
6amino8(4butoxy3methoxyphenyl)2methyl1388atetrahydroisoquinoline577tricarbonitrile
6amino8(4butoxy3methoxyphenyl)2methyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
CCCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C)OC
InChI=1SC24H27N5O2c1451031207616(1121(20)303)22191329(2)9817(19)18(1225)23(28)24(221426)1527h68111922H459101328H213H3
MFCD03233033
ZINC000019816389
ZINC000019816398

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Available files

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