Vitas-M small molecule compound
methyl 4-[3-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK059695
SMILES COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OCc1ccccc1)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 C27H29NO4 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4/c1-17-23(26(30)31-4)24(25-21(28-17)14-27(2,3)15-22(25)29)19-11-8-12-20(13-19)32-16-18-9-6-5-7-10-18/h5-13,24,28H,14-16H2,1-4H3InChIKey
YGGFGMYIPDTDLB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OCc1ccccc1)C(=O)CC(C2)(C)C
InChI=1SC27H29NO4c11723(26(30)314)24(2521(2817)1427(23)1522(25)29)191181220(1319)32161896571018h5132428H1416H214H3
methyl277trimethyl5oxo4(3phenylmethoxyphenyl)1468tetrahydroquinoline3carboxylate
methyl4(3(benzyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
MFCD02188037
STK059695
ZINC000000626970
ZINC000000626976
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