Vitas-M small molecule compound

tetrahydrofuran-2-ylmethyl 4-(4-bromo-2,5-dimethoxyphenyl)-7-(furan-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK406140
SMILES COc1cc(Br)c(cc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccco1)C(=O)OCC1CCCO1)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 C28H30BrNO7 MW 572.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO7/c1-15-25(28(32)37-14-17-6-4-8-35-17)26(18-12-24(34-3)19(29)13-23(18)33-2)27-20(30-15)10-16(11-21(27)31)22-7-5-9-36-22/h5,7,9,12-13,16-17,26,30H,4,6,8,10-11,14H2,1-3H3
InChIKey
YCBDKRQXCXWNPC-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC(=C(C=C4OC)Br)OC)C(=O)OCC5CCCO5
InChI=1SC28H30BrNO7c11525(28(32)3714176483517)26(181224(343)19(29)1323(18)332)2720(3015)1016(1121(27)31)227593622h579121316172630H468101114H213H3
MFCD05986797
oxolan2ylmethyl4(4bromo25dimethoxyphenyl)7(furan2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(4bromo25dimethoxyphenyl)7(furan2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000059596016
ZINC000229948926

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Available files

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