Vitas-M small molecule compound

2-phenoxyethyl 4-[4-(methoxycarbonyl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK004066
SMILES COC(=O)c1ccc(cc1)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 C29H31NO6 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO6/c1-18-24(28(33)36-15-14-35-21-8-6-5-7-9-21)25(19-10-12-20(13-11-19)27(32)34-4)26-22(30-18)16-29(2,3)17-23(26)31/h5-13,25,30H,14-17H2,1-4H3
InChIKey
VWVRNYVIDYTCBY-UHFFFAOYSA-N
Synonyms

2phenoxyethyl4(4(methoxycarbonyl)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(4methoxycarbonylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)C(=O)OC)C(=O)OCCOC4=CC=CC=C4
COC(=O)c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOc1ccccc1
InChI=1SC29H31NO6c11824(28(33)36151435218657921)25(19101220(131119)27(32)344)2622(3018)1629(23)1723(26)31h5132530H1417H214H3
MFCD02104474
STK004066
ZINC000002784153
ZINC000002784154

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Available files

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