Vitas-M small molecule compound
2-phenoxyethyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK078568
SMILES Cc1ccc(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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-18-10-12-20(13-11-18)25-24(27(31)33-15-14-32-21-8-6-5-7-9-21)19(2)29-22-16-28(3,4)17-23(30)26(22)25/h5-13,25,29H,14-17H2,1-4H3InChIKey
OUFAUOJWDOVOML-UHFFFAOYSA-NSynonyms
2phenoxyethyl277trimethyl4(4methylphenyl)5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl277trimethyl4(4methylphenyl)5oxo1468tetrahydroquinoline3carboxylate
CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOC4=CC=CC=C4)C
Cc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOc1ccccc1
InChI=1SC28H31NO4c118101220(131118)2524(27(31)33151432218657921)19(2)29221628(34)1723(30)26(22)25h5132529H1417H214H3
MFCD01193845
STK078568
ZINC000004067281
ZINC000004067282
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