Vitas-M small molecule compound

2-phenoxyethyl 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
STK377604
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1Cl)C(=O)OCCOc1ccccc1)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 C33H30ClNO7 MW 588.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClNO7/c1-19-30(33(37)40-13-12-39-23-6-4-3-5-7-23)31(24-16-28-29(17-25(24)34)42-18-41-28)32-26(35-19)14-21(15-27(32)36)20-8-10-22(38-2)11-9-20/h3-11,16-17,21,31,35H,12-15,18H2,1-2H3
InChIKey
RHLUIVIWLFASGJ-UHFFFAOYSA-N
Synonyms

2phenoxyethyl4(6chloro13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(6chloro13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4Cl)OCO5)C(=O)OCCOC6=CC=CC=C6
InChI=1SC33H30ClNO7c11930(33(37)40131239236435723)31(24162829(1725(24)34)42184128)3226(3519)1421(1527(32)36)2081022(382)11920h3111617213135H121518H212H3
MFCD01571920
ZINC000002185603
ZINC000002185606

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Available files

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