Vitas-M small molecule compound
4-{3-[(2-carbamoylphenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STL175922
SMILES COc1ccc(cc1COc1ccccc1C(=O)N)C1C2=C(NC(=C1C(=O)Nc1ccccn1)C)CC(CC2=O)(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 C33H34N4O5 MW 566.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N4O5/c1-19-28(32(40)37-27-11-7-8-14-35-27)29(30-23(36-19)16-33(2,3)17-24(30)38)20-12-13-25(41-4)21(15-20)18-42-26-10-6-5-9-22(26)31(34)39/h5-15,29,36H,16-18H2,1-4H3,(H2,34,39)(H,35,37,40)InChIKey
AXMLRBMDBCHSSQ-UHFFFAOYSA-NSynonyms
4(3((2carbamoylphenoxy)methyl)4methoxyphenyl)277trimethyl5oxoN(pyridin2yl)145678hexahydroquinoline3carboxamide
4(3((2carbamoylphenoxy)methyl)4methoxyphenyl)277trimethyl5oxoNpyridin2yl1468tetrahydroquinoline3carboxamide
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)COC4=CC=CC=C4C(=O)N)C(=O)NC5=CC=CC=N5
InChI=1SC33H34N4O5c11928(32(40)37271178143527)29(3023(3619)1633(23)1724(30)38)20121325(414)21(1520)1842261065922(26)31(34)39h5152936H1618H214H3(H23439)(H353740)
MFCD03073036
ZINC000000689136
ZINC000008440327
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