Vitas-M small molecule compound
methyl 4-{3-methoxy-4-[(2,4,6-trimethylbenzyl)oxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL174849
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1c(C)cc(cc1C)C)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 C31H37NO5 MW 503.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO5/c1-17-11-18(2)22(19(3)12-17)16-37-25-10-9-21(13-26(25)35-7)28-27(30(34)36-8)20(4)32-23-14-31(5,6)15-24(33)29(23)28/h9-13,28,32H,14-16H2,1-8H3InChIKey
CSJPYOAGVSIHGX-UHFFFAOYSA-NSynonyms
438196-09-9438196099
CC1=CC(=C(C(=C1)C)COC2=C(C=C(C=C2)C3C4=C(CC(CC4=O)(C)C)NC(=C3C(=O)OC)C)OC)C
InChI=1SC31H37NO5c1171118(2)22(19(3)1217)16372510921(1326(25)357)2827(30(34)368)20(4)32231431(56)1524(33)29(23)28h9132832H1416H218H3
methyl4(3methoxy4((246trimethylbenzyl)oxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3methoxy4((246trimethylphenyl)methoxy)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD03073860
ZINC000008440897
ZINC000008440900
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