Vitas-M small molecule compound
methyl 4-(3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK063885
SMILES CCOc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC
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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 C22H27NO4 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4/c1-6-27-15-9-7-8-14(10-15)19-18(21(25)26-5)13(2)23-16-11-22(3,4)12-17(24)20(16)19/h7-10,19,23H,6,11-12H2,1-5H3InChIKey
BZTUWLBJGYVUKO-UHFFFAOYSA-NSynonyms
5803-98-55803985
CCOC1=CC=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C
CCOc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC
InChI=1SC22H27NO4c16271597814(1015)1918(21(25)265)13(2)23161122(34)1217(24)20(16)19h7101923H61112H215H3
methyl4(3ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD02104381
STK063885
ZINC000003899603
ZINC000003899604
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