Vitas-M small molecule compound

butan-2-yl 4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK030196
SMILES CCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC(CC)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 C30H35NO5 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO5/c1-6-18(3)36-30(33)27-19(4)31-23-15-22(20-11-9-8-10-12-20)16-24(32)29(23)28(27)21-13-14-25(35-7-2)26(17-21)34-5/h8-14,17-18,22,28,31H,6-7,15-16H2,1-5H3
InChIKey
PFBXIVZMFILUQU-UHFFFAOYSA-N
Synonyms

butan2yl4(4ethoxy3methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
butan2yl4(4ethoxy3methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC)OC)C(=O)CC(C2)C4=CC=CC=C4)C
CCOc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC(CC)C
InChI=1SC30H35NO5c1618(3)3630(33)2719(4)31231522(201198101220)1624(32)29(23)28(27)21131425(3572)26(1721)345h8141718222831H671516H215H3
MFCD01527922
STK030196
ZINC000020058083
ZINC000035973809

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Available files

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