Vitas-M small molecule compound

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

Catalog ID
STK958005
SMILES CCOc1ccc(cc1OC)C1C2CN(CC=C2C(C(=C1C#N)N)(C#N)C#N)C(=O)OC

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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 C23H23N5O4 MW 433.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O4/c1-4-32-18-6-5-14(9-19(18)30-2)20-15(10-24)21(27)23(12-25,13-26)17-7-8-28(11-16(17)20)22(29)31-3/h5-7,9,16,20H,4,8,11,27H2,1-3H3
InChIKey
XEQCGUXUHAMTSZ-UHFFFAOYSA-N
Synonyms
353765-45-4
353765454
CCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(C(=C2C#N)N)(C#N)C#N)C(=O)OC)OC
InChI=1SC23H23N5O4c1432186514(919(18)302)2015(1024)21(27)23(12251326)177828(1116(17)20)22(29)313h5791620H481127H213H3
methyl6amino557tricyano8(4ethoxy3methoxyphenyl)1388atetrahydroisoquinoline2carboxylate
methyl6amino557tricyano8(4ethoxy3methoxyphenyl)3588atetrahydroisoquinoline2(1H)carboxylate
MFCD01648136
ZINC000008432294
ZINC000008432297

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Available files

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