Vitas-M small molecule compound
(8S,8aR)-6-amino-2-benzyl-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK542377
SMILES CCOc1cc(ccc1OCC)[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 C29H29N5O2 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O2/c1-3-35-25-11-10-21(14-26(25)36-4-2)27-24-17-34(16-20-8-6-5-7-9-20)13-12-22(24)23(15-30)28(33)29(27,18-31)19-32/h5-12,14,24,27H,3-4,13,16-17,33H2,1-2H3/t24-,27+/m0/s1InChIKey
JMKNFYDGWNBPMC-RPLLCQBOSA-NSynonyms
494792-14-2(8S8aR)6amino2benzyl8(34diethoxyphenyl)1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)6amino2benzyl8(34diethoxyphenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
494792142
CCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)CC4=CC=CC=C4)OCC
CCOc1cc(ccc1OCC)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)Cc1ccccc1
InChI=1SC29H29N5O2c133525111021(1426(25)3642)27241734(16208657920)131222(24)23(1530)28(33)29(271831)1932h512142427H3413161733H212H3t2427+m0s1
MFCD18241991
ZINC000019851785
ZINC19851785
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