Vitas-M small molecule compound
tert-butyl 6-amino-5,7,7-tricyano-8-(2,5-dimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STL332559
SMILES COc1ccc(c(c1)C1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OC
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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 C25H27N5O4 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O4/c1-24(2,3)34-23(31)30-9-8-16-18(11-26)22(29)25(13-27,14-28)21(19(16)12-30)17-10-15(32-4)6-7-20(17)33-5/h6-8,10,19,21H,9,12,29H2,1-5H3InChIKey
HLXJRGIADUBUFF-UHFFFAOYSA-NSynonyms
(8R8aR)tertbutyl6amino577tricyano8(25dimethoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)OC)OC
COc1ccc(c(c1)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OC
InChI=1SC25H27N5O4c124(23)3423(31)30981618(1126)22(29)25(13271428)21(19(16)1230)171015(324)6720(17)335h68101921H91229H215H3
MFCD28032003
tertbutyl6amino577tricyano8(25dimethoxyphenyl)1388atetrahydroisoquinoline2carboxylate
tertbutyl6amino577tricyano8(25dimethoxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
ZINC000008442040
ZINC000016034928
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