Vitas-M small molecule compound

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

Catalog ID
STK968599
SMILES COC(=O)N1CC=C2C(C1)C(c1cccc(c1)C)C(=C(C2(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/c1-13-4-3-5-14(8-13)18-15(9-22)19(25)21(11-23,12-24)17-6-7-26(10-16(17)18)20(27)28-2/h3-6,8,16,18H,7,10,25H2,1-2H3
InChIKey
ZQSHQNSCVIUNIC-UHFFFAOYSA-N
Synonyms

CC1=CC=CC(=C1)C2C3CN(CC=C3C(C(=C2C#N)N)(C#N)C#N)C(=O)OC
InChI=1SC21H19N5O2c11343514(813)1815(922)19(25)21(11231224)176726(1016(17)18)20(27)282h3681618H71025H212H3
methyl6amino557tricyano8(3methylphenyl)1388atetrahydroisoquinoline2carboxylate
methyl6amino557tricyano8(3methylphenyl)3588atetrahydroisoquinoline2(1H)carboxylate
MFCD01920417
ZINC000004473586
ZINC000004473590

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.