Vitas-M small molecule compound
ethyl 6-amino-8-[4-(benzyloxy)-3-methoxyphenyl]-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STL335232
SMILES CCOC(=O)N1CC=C2C(C1)C(c1ccc(c(c1)OC)OCc1ccccc1)C(C(=C2C#N)N)(C#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 C29H27N5O4 MW 509.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O4/c1-3-37-28(35)34-12-11-21-22(14-30)27(33)29(17-31,18-32)26(23(21)15-34)20-9-10-24(25(13-20)36-2)38-16-19-7-5-4-6-8-19/h4-11,13,23,26H,3,12,15-16,33H2,1-2H3InChIKey
OJFUGHLQVGPIMB-UHFFFAOYSA-NSynonyms
(8S8aR)ethyl6amino8(4(benzyloxy)3methoxyphenyl)577tricyano1788atetrahydroisoquinoline2(3H)carboxylate
CCOC(=O)N1CC=C2(C@H)(C1)(C@@H)(c1ccc(c(c1)OC)OCc1ccccc1)C(C(=C2C#N)N)(C#N)C#N
CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC
ethyl6amino577tricyano8(3methoxy4phenylmethoxyphenyl)1388atetrahydroisoquinoline2carboxylate
ethyl6amino8(4(benzyloxy)3methoxyphenyl)577tricyano3788atetrahydroisoquinoline2(1H)carboxylate
InChI=1SC29H27N5O4c133728(35)3412112122(1430)27(33)29(17311832)26(23(21)1534)2091024(25(1320)362)3816197546819h411132326H312151633H212H3
MFCD03804366
ZINC000008411333
ZINC000009008590
Check stock
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Check stock on Vitas-MAvailable files
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