Vitas-M small molecule compound

4-methoxybenzyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK045518
SMILES CCOc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccc(cc1)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 C29H32ClNO6 MW 526.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO6/c1-6-36-23-12-18(11-20(30)27(23)33)25-24(28(34)37-15-17-7-9-19(35-5)10-8-17)16(2)31-21-13-29(3,4)14-22(32)26(21)25/h7-12,25,31,33H,6,13-15H2,1-5H3
InChIKey
XCSRLFUXHJKMNM-UHFFFAOYSA-N
Synonyms
303205-36-9
(4methoxyphenyl)methyl4(3chloro5ethoxy4hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
303205369
4methoxybenzyl4(3chloro5ethoxy4hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C)Cl)O
CCOc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccc(cc1)OC
InChI=1SC29H32ClNO6c1636231218(1120(30)27(23)33)2524(28(34)3715177919(355)10817)16(2)31211329(34)1422(32)26(21)25h712253133H61315H215H3
MFCD01824451
STK045518
ZINC000009246566
ZINC000009246568

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Available files

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