Vitas-M small molecule compound
2-amino-3,3-dicyano-4-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7-hexahydronaphthalene-1-carboxylic acid
Catalog ID
STK671320
SMILES N#CC1(C#N)C(c2cccc(c2)C(F)(F)F)C2CCCC=C2C(=C1N)C(=O)O
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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 C20H16F3N3O2 MW 387.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3N3O2/c21-20(22,23)12-5-3-4-11(8-12)16-14-7-2-1-6-13(14)15(18(27)28)17(26)19(16,9-24)10-25/h3-6,8,14,16H,1-2,7,26H2,(H,27,28)InChIKey
MEZXQYPDQNNHAC-UHFFFAOYSA-NSynonyms
2amino33dicyano4(3(trifluoromethyl)phenyl)344a567hexahydronaphthalene1carboxylicacid
2AMINO33DICYANO4(3(TRIFLUOROMETHYL)PHENYL)4A567TETRAHYDRO4HNAPHTHALENE1CARBOXYLICACID
C1CC=C2C(C1)C(C(C(=C2C(=O)O)N)(C#N)C#N)C3=CC(=CC=C3)C(F)(F)F
InChI=1SC20H16F3N3O2c2120(2223)1253411(812)1614721613(14)15(18(27)28)17(26)19(16924)1025h3681416H12726H2(H2728)
MFCD00747915
ZINC000001055156
ZINC000001055161
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