Vitas-M small molecule compound
ethyl (8S)-6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK538984
SMILES CCCOc1ccc(cc1OC)[C@@H]1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCC
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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/c1-4-10-34-20-7-6-16(11-21(20)32-3)22-19-13-30(24(31)33-5-2)9-8-17(19)18(12-26)23(29)25(22,14-27)15-28/h6-8,11,19,22H,4-5,9-10,13,29H2,1-3H3/t19?,22-/m1/s1InChIKey
XBTMHDZBIOQLFU-AVKWCDSFSA-NSynonyms
494791-97-8(8S)ethyl6amino577tricyano8(3methoxy4propoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
494791978
CCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC)OC
CCCOc1ccc(cc1OC)(C@@H)1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCC
ethyl(8S)6amino577tricyano8(3methoxy4propoxyphenyl)1388atetrahydroisoquinoline2carboxylate
ethyl(8S)6amino577tricyano8(3methoxy4propoxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
InChI=1SC25H27N5O4c141034207616(1121(20)323)22191330(24(31)3352)9817(19)18(1226)23(29)25(221427)1528h68111922H459101329H213H3t19?22m1s1
MFCD18241732
ZINC000001737931
ZINC000001737938
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