Vitas-M small molecule compound

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

Catalog ID
STK371933
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccccc1O)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 C20H23NO4 MW 341.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO4/c1-11-16(19(24)25-4)17(12-7-5-6-8-14(12)22)18-13(21-11)9-20(2,3)10-15(18)23/h5-8,17,21-22H,9-10H2,1-4H3
InChIKey
IWRKYKIZMKEBJK-UHFFFAOYSA-N
Synonyms
401649-05-6
401649056
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3O)C(=O)OC
InChI=1SC20H23NO4c11116(19(24)254)17(12756814(12)22)1813(2111)920(23)1015(18)23h58172122H910H214H3
methyl4(2hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(2hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD00512822
ZINC000003071509
ZINC000003071510

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Available files

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