Vitas-M small molecule compound
2-phenoxyethyl 4-(3,4-difluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK010832
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)F)F)C(=O)CC(C2)(C)C)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 C27H27F2NO4 MW 467.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27F2NO4/c1-16-23(26(32)34-12-11-33-18-7-5-4-6-8-18)24(17-9-10-19(28)20(29)13-17)25-21(30-16)14-27(2,3)15-22(25)31/h4-10,13,24,30H,11-12,14-15H2,1-3H3InChIKey
PAUMZUYVXBNOEQ-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(34difluorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(34difluorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)F)F)C(=O)OCCOC4=CC=CC=C4
InChI=1SC27H27F2NO4c11623(26(32)34121133187546818)24(1791019(28)20(29)1317)2521(3016)1427(23)1522(25)31h410132430H11121415H213H3
MFCD02188596
O=C(C1=C(C)NC2=C(C1c1ccc(c(c1)F)F)C(=O)CC(C2)(C)C)OCCOc1ccccc1
STK010832
ZINC000002190485
ZINC000002190486
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