Vitas-M small molecule compound
2-amino-4-[4-methoxy-3-(phenoxymethyl)phenyl]-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL173025
SMILES N#CC1=C(N)N(c2cccnc2)C2=C(C1c1ccc(c(c1)COc1ccccc1)OC)C(=O)CC(C2)(C)C
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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 C31H30N4O3 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N4O3/c1-31(2)15-25-29(26(36)16-31)28(24(17-32)30(33)35(25)22-8-7-13-34-18-22)20-11-12-27(37-3)21(14-20)19-38-23-9-5-4-6-10-23/h4-14,18,28H,15-16,19,33H2,1-3H3InChIKey
WAQCNICDDLBRJJ-UHFFFAOYSA-NSynonyms
515151-77-62amino4(4methoxy3(phenoxymethyl)phenyl)77dimethyl5oxo1(pyridin3yl)145678hexahydroquinoline3carbonitrile
2AMINO4(4METHOXY3(PHENOXYMETHYL)PHENYL)77DIMETHYL5OXO1PYRIDIN3YL68DIHYDRO4HQUINOLINE3CARBONITRILE
515151776
CC1(CC2=C(C(C(=C(N2C3=CN=CC=C3)N)C#N)C4=CC(=C(C=C4)OC)COC5=CC=CC=C5)C(=O)C1)C
InChI=1SC31H30N4O3c131(2)152529(26(36)1631)28(24(1732)30(33)35(25)228713341822)20111227(373)21(1420)19382395461023h4141828H15161933H213H3
MFCD03758472
ZINC000000695873
ZINC000000695874
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