Vitas-M small molecule compound
propan-2-yl 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
STK090902
SMILES CCOc1cc(cc(c1O)Cl)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)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 C29H32ClNO6 MW 526.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO6/c1-6-36-24-14-19(11-21(30)28(24)33)26-25(29(34)37-15(2)3)16(4)31-22-12-18(13-23(32)27(22)26)17-7-9-20(35-5)10-8-17/h7-11,14-15,18,26,31,33H,6,12-13H2,1-5H3InChIKey
BDIROGJSONMMGD-UHFFFAOYSA-NSynonyms
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OC(C)C)C)Cl)O
CCOc1cc(cc(c1O)Cl)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC(C)C)C
InChI=1SC29H32ClNO6c1636241419(1121(30)28(24)33)2625(29(34)3715(2)3)16(4)31221218(1323(32)27(22)26)177920(355)10817h711141518263133H61213H215H3
MFCD01824398
propan2yl4(3chloro5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3chloro5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK090902
ZINC000009010197
ZINC000009010200
ZINC09010197
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