Vitas-M small molecule compound
tert-butyl (8S)-6-amino-8-(4-butoxy-3-methoxyphenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK056845
SMILES CCCCOc1ccc(cc1OC)[C@@H]1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C
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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 C28H33N5O4 MW 503.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N5O4/c1-6-7-12-36-22-9-8-18(13-23(22)35-5)24-21-15-33(26(34)37-27(2,3)4)11-10-19(21)20(14-29)25(32)28(24,16-30)17-31/h8-10,13,21,24H,6-7,11-12,15,32H2,1-5H3/t21?,24-/m1/s1InChIKey
YCZMLHZWYGYSOV-MQNHUJCZSA-NSynonyms
303967-07-9(8S)tertbutyl6amino8(4butoxy3methoxyphenyl)577tricyano1788atetrahydroisoquinoline2(3H)carboxylate
303967079
CCCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OC
CCCCOc1ccc(cc1OC)(C@@H)1C2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C
InChI=1SC28H33N5O4c1671236229818(1323(22)355)24211533(26(34)3727(23)4)111019(21)20(1429)25(32)28(241630)1731h810132124H6711121532H215H3t21?24m1s1
STK056845
tertbutyl(8S)6amino8(4butoxy3methoxyphenyl)577tricyano1388atetrahydroisoquinoline2carboxylate
tertbutyl(8S)6amino8(4butoxy3methoxyphenyl)577tricyano3788atetrahydroisoquinoline2(1H)carboxylate
ZINC000019816366
ZINC000019816369
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.