Vitas-M small molecule compound
methyl 4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-methyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl]benzoate
Catalog ID
STK540732
SMILES COC(=O)c1ccc(cc1)[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 C21H19N5O2 MW 373.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O2/c1-26-8-7-15-16(9-22)19(25)21(11-23,12-24)18(17(15)10-26)13-3-5-14(6-4-13)20(27)28-2/h3-7,17-18H,8,10,25H2,1-2H3/t17-,18+/m0/s1InChIKey
LLFKOXHWOGDCLT-ZWKOTPCHSA-NSynonyms
459147-98-9459147989
CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)(C@@H)1(C@H)2CN(C)CC=C2C(=C(C1(C#N)C#N)N)C#N
InChI=1SC21H19N5O2c126871516(922)19(25)21(11231224)18(17(15)1026)133514(6413)20(27)282h371718H81025H212H3t1718+m0s1
methyl4((8S8aR)6amino577tricyano2methyl123788ahexahydroisoquinolin8yl)benzoate
methyl4((8S8aR)6amino577tricyano2methyl1388atetrahydroisoquinolin8yl)benzoate
MFCD18241845
ZINC000019852143
ZINC19852143
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