Vitas-M small molecule compound
4-methoxybenzyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK015392
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OC)O)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 C28H30ClNO6 MW 512.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClNO6/c1-15-23(27(33)36-14-16-6-8-18(34-4)9-7-16)24(17-10-19(29)26(32)22(11-17)35-5)25-20(30-15)12-28(2,3)13-21(25)31/h6-11,24,30,32H,12-14H2,1-5H3InChIKey
WRUQTMPHGWJEAS-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(3chloro4hydroxy5methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
4methoxybenzyl4(3chloro4hydroxy5methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)OCC4=CC=C(C=C4)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OC)O)C(=O)CC(C2)(C)C
InChI=1SC28H30ClNO6c11523(27(33)3614166818(344)9716)24(171019(29)26(32)22(1117)355)2520(3015)1228(23)1321(25)31h611243032H1214H215H3
MFCD01445646
STK015392
ZINC000000666756
ZINC000000666759
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