Vitas-M small molecule compound

methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK406899
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CC(C2)c1cc(OC)c(c(c1)OC)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 C28H30BrNO8 MW 588.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO8/c1-13-23(28(33)38-6)24(16-7-17(29)26(32)20(12-16)34-2)25-18(30-13)8-14(9-19(25)31)15-10-21(35-3)27(37-5)22(11-15)36-4/h7,10-12,14,24,30,32H,8-9H2,1-6H3
InChIKey
CDVRNYQUEFSAJK-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OC
InChI=1SC28H30BrNO8c11323(28(33)386)24(16717(29)26(32)20(1216)342)2518(3013)814(919(25)31)151021(353)27(375)22(1115)364h7101214243032H89H216H3
methyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo7(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
methyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo7(345trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
MFCD06007059
ZINC000001064970
ZINC000001064974

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Available files

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