Vitas-M small molecule compound
2-amino-4-[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]-7,7-dimethyl-5-oxo-1-(phenylamino)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL416512
SMILES C=CCOc1ccc(cc1OC)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)Nc1ccccc1)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 C28H30N4O3 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O3/c1-5-13-35-23-12-11-18(14-24(23)34-4)25-20(17-29)27(30)32(31-19-9-7-6-8-10-19)21-15-28(2,3)16-22(33)26(21)25/h5-12,14,25,31H,1,13,15-16,30H2,2-4H3InChIKey
QTWLTIDRJGUISM-UHFFFAOYSA-NSynonyms
2AMINO1ANILINO4(3METHOXY4PROP2ENOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
2amino4(3methoxy4(prop2en1yloxy)phenyl)77dimethyl5oxo1(phenylamino)145678hexahydroquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2NC3=CC=CC=C3)N)C#N)C4=CC(=C(C=C4)OCC=C)OC)C(=O)C1)C
InChI=1SC28H30N4O3c15133523121118(1424(23)344)2520(1729)27(30)32(311997681019)211528(23)1622(33)26(21)25h512142531H113151630H224H3
MFCD04091287
ZINC000002170042
ZINC000002170045
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