Vitas-M small molecule compound

benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[4-(propan-2-yloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK032351
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)OC(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 C29H27N5O3 MW 493.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O3/c1-19(2)37-22-10-8-21(9-11-22)26-25-15-34(28(35)36-16-20-6-4-3-5-7-20)13-12-23(25)24(14-30)27(33)29(26,17-31)18-32/h3-12,19,25-26H,13,15-16,33H2,1-2H3/t25-,26+/m0/s1
InChIKey
MUZWKOUVEGYRQA-IZZNHLLZSA-N
Synonyms
303953-19-7
(8S8aR)benzyl6amino577tricyano8(4isopropoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
303953197
benzyl(8S8aR)6amino577tricyano8(4(propan2yloxy)phenyl)3788atetrahydroisoquinoline2(1H)carboxylate
benzyl(8S8aR)6amino577tricyano8(4propan2yloxyphenyl)1388atetrahydroisoquinoline2carboxylate
CC(C)OC1=CC=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC4=CC=CC=C4
InChI=1SC29H27N5O3c119(2)372210821(91122)26251534(28(35)3616206435720)131223(25)24(1430)27(33)29(261731)1832h312192526H13151633H212H3t2526+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)OC(C)C)(C#N)C#N
STK032351
ZINC000020058116
ZINC20058116

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Available files

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