Vitas-M small molecule compound
(8S,8aR)-6-amino-2-benzyl-8-(3-ethoxy-4-propoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK541154
SMILES CCCOc1ccc(cc1OCC)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)Cc1ccccc1
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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 C30H31N5O2 MW 493.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N5O2/c1-3-14-37-26-11-10-22(15-27(26)36-4-2)28-25-18-35(17-21-8-6-5-7-9-21)13-12-23(25)24(16-31)29(34)30(28,19-32)20-33/h5-12,15,25,28H,3-4,13-14,17-18,34H2,1-2H3/t25-,28+/m0/s1InChIKey
DVIQFHVYYXDHAK-LBNVMWSVSA-NSynonyms
459153-26-5(8S8aR)6amino2benzyl8(3ethoxy4propoxyphenyl)1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)6amino2benzyl8(3ethoxy4propoxyphenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
459153265
CCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)CC4=CC=CC=C4)OCC
CCCOc1ccc(cc1OCC)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)Cc1ccccc1
InChI=1SC30H31N5O2c13143726111022(1527(26)3642)28251835(17218657921)131223(25)24(1631)29(34)30(281932)2033h512152528H341314171834H212H3t2528+m0s1
MFCD18241878
ZINC000019851789
ZINC19851789
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