Vitas-M small molecule compound
(8S,8aR)-6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK048675
SMILES CCCOc1ccc(cc1OCC)[C@@H]1[C@H]2CN(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/c1-4-10-31-20-7-6-16(11-21(20)30-5-2)22-19-13-29(3)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/t19-,22+/m0/s1InChIKey
FSIVLYANLFPKSC-SIKLNZKXSA-NSynonyms
303984-22-7(8S8aR)6amino8(3ethoxy4propoxyphenyl)2methyl1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)6amino8(3ethoxy4propoxyphenyl)2methyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
303984227
CCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C)OCC
CCCOc1ccc(cc1OCC)(C@@H)1(C@H)2CN(C)CC=C2C(=C(C1(C#N)C#N)N)C#N
InChI=1SC24H27N5O2c141031207616(1121(20)3052)22191329(3)9817(19)18(1225)23(28)24(221426)1527h68111922H459101328H213H3t1922+m0s1
STK048675
ZINC000019830971
ZINC19830971
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