Vitas-M small molecule compound
2-phenylethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK376651
SMILES COc1cc(cc(c1O)Cl)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1
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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 C28H30ClNO5 MW 496.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClNO5/c1-16-23(27(33)35-11-10-17-8-6-5-7-9-17)24(18-12-19(29)26(32)22(13-18)34-4)25-20(30-16)14-28(2,3)15-21(25)31/h5-9,12-13,24,30,32H,10-11,14-15H2,1-4H3InChIKey
FLMUQYVKSWQFCH-UHFFFAOYSA-NSynonyms
2phenylethyl4(3chloro4hydroxy5methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(3chloro4hydroxy5methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)OCCC4=CC=CC=C4
InChI=1SC28H30ClNO5c11623(27(33)351110178657917)24(181219(29)26(32)22(1318)344)2520(3016)1428(23)1521(25)31h591213243032H10111415H214H3
MFCD01193834
ZINC000019848682
ZINC000019848683
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