Vitas-M small molecule compound

2-phenoxyethyl 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK096810
SMILES COc1ccc(c(c1)OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOc1ccccc1

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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 C29H33NO6 MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6/c1-18-25(28(32)36-14-13-35-19-9-7-6-8-10-19)26(21-12-11-20(33-4)15-24(21)34-5)27-22(30-18)16-29(2,3)17-23(27)31/h6-12,15,26,30H,13-14,16-17H2,1-5H3
InChIKey
HGGZDLPBGXJZTB-UHFFFAOYSA-N
Synonyms

2phenoxyethyl4(24dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(24dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C=C(C=C3)OC)OC)C(=O)OCCOC4=CC=CC=C4
COc1ccc(c(c1)OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOc1ccccc1
InChI=1SC29H33NO6c11825(28(32)361413351997681019)26(21121120(334)1524(21)345)2722(3018)1629(23)1723(27)31h612152630H13141617H215H3
MFCD01193848
STK096810
ZINC000002775442
ZINC000002775443

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Available files

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