Vitas-M small molecule compound
methyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK001141
SMILES CCOc1cc(cc(c1O)Cl)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC)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 C27H28ClNO6 MW 497.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO6/c1-5-35-22-13-17(10-19(28)26(22)31)24-23(27(32)34-4)14(2)29-20-11-16(12-21(30)25(20)24)15-6-8-18(33-3)9-7-15/h6-10,13,16,24,29,31H,5,11-12H2,1-4H3InChIKey
AUQYHNDLQUJTSF-UHFFFAOYSA-NSynonyms
312620-33-0312620330
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OC)C)Cl)O
CCOc1cc(cc(c1O)Cl)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC)C
InChI=1SC27H28ClNO6c1535221317(1019(28)26(22)31)2423(27(32)344)14(2)29201116(1221(30)25(20)24)156818(333)9715h6101316242931H51112H214H3
methyl4(3chloro5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3chloro5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD01825139
STK001141
ZINC000008915985
ZINC000008916278
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