Vitas-M small molecule compound

4-(3-bromo-4,5-diethoxyphenyl)-2,7,7-trimethyl-3-(morpholin-4-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one

Catalog ID
STK407394
SMILES CCOc1cc(cc(c1OCC)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)N1CCOCC1

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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 C27H35BrN2O5 MW 547.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35BrN2O5/c1-6-34-21-13-17(12-18(28)25(21)35-7-2)23-22(26(32)30-8-10-33-11-9-30)16(3)29-19-14-27(4,5)15-20(31)24(19)23/h12-13,23,29H,6-11,14-15H2,1-5H3
InChIKey
JZZKQOAYPYWODH-UHFFFAOYSA-N
Synonyms

4(3bromo45diethoxyphenyl)277trimethyl3(morpholin4ylcarbonyl)4678tetrahydroquinolin5(1H)one
4(3bromo45diethoxyphenyl)277trimethyl3(morpholine4carbonyl)1468tetrahydroquinolin5one
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)N4CCOCC4)C)Br)OCC
InChI=1SC27H35BrN2O5c1634211317(1218(28)25(21)3572)2322(26(32)308103311930)16(3)29191427(45)1520(31)24(19)23h12132329H6111415H215H3
MFCD04057043
ZINC000029748992
ZINC000029748995

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Available files

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