Vitas-M small molecule compound

methyl 4-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK960605
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1ccc(cc1)Cl)OC)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 C28H30ClNO5 MW 496.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClNO5/c1-16-24(27(32)34-5)25(26-21(30-16)13-28(2,3)14-22(26)31)17-6-11-23(33-4)18(12-17)15-35-20-9-7-19(29)8-10-20/h6-12,25,30H,13-15H2,1-5H3
InChIKey
QHXJTMKNODNHPK-UHFFFAOYSA-N
Synonyms
445031-40-3
445031403
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)Cl)C(=O)OC
InChI=1SC28H30ClNO5c11624(27(32)345)25(2621(3016)1328(23)1422(26)31)1761123(334)18(1217)1535209719(29)81020h6122530H1315H215H3
methyl4(3((4chlorophenoxy)methyl)4methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3((4chlorophenoxy)methyl)4methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD02175481
ZINC000000648475
ZINC000000648479

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Available files

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