Vitas-M small molecule compound
2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(4H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK233687
SMILES COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1[nH]cnn1)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 C21H22N6O2 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O2/c1-21(2)8-15-18(16(28)9-21)17(12-4-6-13(29-3)7-5-12)14(10-22)19(23)27(15)20-24-11-25-26-20/h4-7,11,17H,8-9,23H2,1-3H3,(H,24,25,26)InChIKey
ITNDWUDGRLTHGN-UHFFFAOYSA-NSynonyms
442523-05-92AMINO4(4METHOXYPHENYL)77DIMETHYL5OXO1(1H124TRIAZOL5YL)68DIHYDRO4HQUINOLINE3CARBONITRILE
2amino4(4methoxyphenyl)77dimethyl5oxo1(4H124triazol3yl)145678hexahydroquinoline3carbonitrile
442523059
CC1(CC2=C(C(C(=C(N2C3=NC=NN3)N)C#N)C4=CC=C(C=C4)OC)C(=O)C1)C
COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1(nH)cnn1)C#N
InChI=1SC21H22N6O2c121(2)81518(16(28)921)17(124613(293)7512)14(1022)19(23)27(15)202411252620h471117H8923H213H3(H242526)
MFCD06755239
ZINC000008559525
ZINC000008559527
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