Vitas-M small molecule compound

prop-2-en-1-yl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363369
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)C(=O)CCC2

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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 C22H24BrNO5 MW 462.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24BrNO5/c1-4-9-29-22(27)18-12(3)24-15-7-6-8-16(25)20(15)19(18)13-10-14(23)21(26)17(11-13)28-5-2/h4,10-11,19,24,26H,1,5-9H2,2-3H3
InChIKey
DCIXLNUOWUEUQF-UHFFFAOYSA-N
Synonyms

CCOC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)NC(=C2C(=O)OCC=C)C)Br)O
InChI=1SC22H24BrNO5c1492922(27)1812(3)241576816(25)20(15)19(18)131014(23)21(26)17(1113)2852h41011192426H159H223H3
MFCD01191828
prop2en1yl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(3bromo5ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000004067074
ZINC000004067075

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Available files

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