Vitas-M small molecule compound

tert-butyl 6-amino-8-(3-bromo-4-methoxyphenyl)-5,5,7-tricyano-3,5,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STL170523
SMILES N#CC1=C(N)C(C2=CCN(CC2C1c1ccc(c(c1)Br)OC)C(=O)OC(C)(C)C)(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 C24H24BrN5O3 MW 510.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24BrN5O3/c1-23(2,3)33-22(31)30-8-7-17-16(11-30)20(14-5-6-19(32-4)18(25)9-14)15(10-26)21(29)24(17,12-27)13-28/h5-7,9,16,20H,8,11,29H2,1-4H3
InChIKey
XTUIDJMKEOUFCO-UHFFFAOYSA-N
Synonyms
352679-77-7
352679777
CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(=C(C2(C#N)C#N)N)C#N)C3=CC(=C(C=C3)OC)Br
InChI=1SC24H24BrN5O3c123(23)3322(31)30871716(1130)20(145619(324)18(25)914)15(1026)21(29)24(171227)1328h5791620H81129H214H3
MFCD01450628
tertbutyl6amino8(3bromo4methoxyphenyl)557tricyano1388atetrahydroisoquinoline2carboxylate
tertbutyl6amino8(3bromo4methoxyphenyl)557tricyano3588atetrahydroisoquinoline2(1H)carboxylate
ZINC000000995768
ZINC000000995771

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Available files

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