Vitas-M small molecule compound

ethyl 4-amino-1,3,5,5-tetracyano-2,6-diphenylcyclohex-3-ene-1-carboxylate

Catalog ID
STL321388
SMILES CCOC(=O)C1(C#N)C(c2ccccc2)C(=C(C(C1c1ccccc1)(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 C25H19N5O2 MW 421.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N5O2/c1-2-32-23(31)25(16-29)20(17-9-5-3-6-10-17)19(13-26)22(30)24(14-27,15-28)21(25)18-11-7-4-8-12-18/h3-12,20-21H,2,30H2,1H3
InChIKey
GMYMBCMLJSQZQS-UHFFFAOYSA-N
Synonyms

(1S2R3S)ethyl5amino2446tetracyano1234tetrahydro(1131terphenyl)2carboxylate
CCOC(=O)(C@)1(C#N)(C@@H)(c2ccccc2)C(=C(C((C@@H)1c1ccccc1)(C#N)C#N)N)C#N
CCOC(=O)C1(C(C(=C(C(C1C2=CC=CC=C2)(C#N)C#N)N)C#N)C3=CC=CC=C3)C#N
ethyl4amino1355tetracyano26diphenylcyclohex3ene1carboxylate
InChI=1SC25H19N5O2c123223(31)25(1629)20(1795361017)19(1326)22(30)24(14271528)21(25)18117481218h3122021H230H21H3
MFCD01429088
ZINC000020790678
ZINC000245242169

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Available files

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