Vitas-M small molecule compound
ethyl 4-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK961099
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(o1)COc1ccc(c(c1)C)Cl)C(=O)CC(C2)(C)C
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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 C27H30ClNO5 MW 483.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30ClNO5/c1-6-32-26(31)23-16(3)29-20-12-27(4,5)13-21(30)24(20)25(23)22-10-8-18(34-22)14-33-17-7-9-19(28)15(2)11-17/h7-11,25,29H,6,12-14H2,1-5H3InChIKey
RKVXDYWYGUAYAK-UHFFFAOYSA-NSynonyms
445033-45-4445033454
CCOC(=O)C1=C(NC2=C(C1C3=CC=C(O3)COC4=CC(=C(C=C4)Cl)C)C(=O)CC(C2)(C)C)C
ethyl4(5((4chloro3methylphenoxy)methyl)furan2yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(5((4chloro3methylphenoxy)methyl)furan2yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC27H30ClNO5c163226(31)2316(3)29201227(45)1321(30)24(20)25(23)2210818(3422)1433177919(28)15(2)1117h7112529H61214H215H3
MFCD02243913
ZINC000000648730
ZINC000002769818
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