Vitas-M small molecule compound
propan-2-yl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK378727
SMILES CCOc1cc(cc(c1O)Cl)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC(C)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 C28H29Cl2NO5 MW 530.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29Cl2NO5/c1-5-35-23-13-18(10-20(30)27(23)33)25-24(28(34)36-14(2)3)15(4)31-21-11-17(12-22(32)26(21)25)16-6-8-19(29)9-7-16/h6-10,13-14,17,25,31,33H,5,11-12H2,1-4H3InChIKey
GQVXBPXINIRPHX-UHFFFAOYSA-NSynonyms
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OC(C)C)C)Cl)O
InChI=1SC28H29Cl2NO5c1535231318(1020(30)27(23)33)2524(28(34)3614(2)3)15(4)31211117(1222(32)26(21)25)166819(29)9716h610131417253133H51112H214H3
MFCD01824392
propan2yl4(3chloro5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3chloro5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000100575821
ZINC000100575832
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