Vitas-M small molecule compound

prop-2-en-1-yl 4-(6-chloro-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK407278
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CC(C2)c1ccc(cc1)OC

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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 C28H26ClNO6 MW 507.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26ClNO6/c1-4-9-34-28(32)25-15(2)30-21-10-17(16-5-7-18(33-3)8-6-16)11-22(31)27(21)26(25)19-12-23-24(13-20(19)29)36-14-35-23/h4-8,12-13,17,26,30H,1,9-11,14H2,2-3H3
InChIKey
GIWFVTDPNNDTFJ-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4Cl)OCO5)C(=O)OCC=C
InChI=1SC28H26ClNO6c1493428(32)2515(2)30211017(165718(333)8616)1122(31)27(21)26(25)19122324(1320(19)29)36143523h481213172630H191114H223H3
MFCD01572222
prop2en1yl4(6chloro13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(6chloro13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002185693
ZINC000002185696

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Available files

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