Vitas-M small molecule compound

2-methylpropyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK109247
SMILES CC(COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CC(C2)c1ccccc1)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 C28H28ClNO5 MW 493.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClNO5/c1-15(2)13-33-28(32)25-16(3)30-21-9-18(17-7-5-4-6-8-17)10-22(31)27(21)26(25)19-11-23-24(12-20(19)29)35-14-34-23/h4-8,11-12,15,18,26,30H,9-10,13-14H2,1-3H3
InChIKey
ROJJNUYQKWGMMC-UHFFFAOYSA-N
Synonyms

2methylpropyl4(6chloro13benzodioxol5yl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2methylpropyl4(6chloro13benzodioxol5yl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4Cl)OCO5)C(=O)OCC(C)C
InChI=1SC28H28ClNO5c115(2)133328(32)2516(3)3021918(177546817)1022(31)27(21)26(25)19112324(1220(19)29)35143423h48111215182630H9101314H213H3
MFCD01571944
ZINC000000708150
ZINC000000708153

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Available files

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