Vitas-M small molecule compound

ethyl 6-amino-8-(4-butoxy-3-methoxyphenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK997293
SMILES CCCCOc1ccc(cc1OC)C1C2CN(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 C26H29N5O4 MW 475.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O4/c1-4-6-11-35-21-8-7-17(12-22(21)33-3)23-20-14-31(25(32)34-5-2)10-9-18(20)19(13-27)24(30)26(23,15-28)16-29/h7-9,12,20,23H,4-6,10-11,14,30H2,1-3H3
InChIKey
OPNSQROIYSQIMR-UHFFFAOYSA-N
Synonyms
445222-43-5
445222435
CCCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC)OC
ethyl6amino8(4butoxy3methoxyphenyl)577tricyano1388atetrahydroisoquinoline2carboxylate
ethyl6amino8(4butoxy3methoxyphenyl)577tricyano1788atetrahydroisoquinoline2(3H)carboxylate
ethyl6amino8(4butoxy3methoxyphenyl)577tricyano3788atetrahydroisoquinoline2(1H)carboxylate
InChI=1SC26H29N5O4c1461135218717(1222(21)333)23201431(25(32)3452)10918(20)19(1327)24(30)26(231528)1629h79122023H4610111430H213H3
MFCD02949191
ZINC000001833597
ZINC000019816402

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Available files

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