Vitas-M small molecule compound
2-phenoxyethyl 4-(3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK033723
SMILES CCOc1cccc(c1)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 C29H33NO5 MW 475.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5/c1-5-33-22-13-9-10-20(16-22)26-25(28(32)35-15-14-34-21-11-7-6-8-12-21)19(2)30-23-17-29(3,4)18-24(31)27(23)26/h6-13,16,26,30H,5,14-15,17-18H2,1-4H3InChIKey
YJMSCFMJTDKZGT-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(3ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(3ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOC1=CC=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOC4=CC=CC=C4)C
CCOc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOc1ccccc1
InChI=1SC29H33NO5c1533221391020(1622)2625(28(32)3515143421117681221)19(2)30231729(34)1824(31)27(23)26h613162630H514151718H214H3
MFCD02188159
STK033723
ZINC000008439442
ZINC000008439446
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