Vitas-M small molecule compound
2-phenoxyethyl 4-[2-(benzyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK051490
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)(C)C)OCCOc1ccccc1
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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 C34H35NO5 MW 537.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35NO5/c1-23-30(33(37)39-19-18-38-25-14-8-5-9-15-25)31(32-27(35-23)20-34(2,3)21-28(32)36)26-16-10-11-17-29(26)40-22-24-12-6-4-7-13-24/h4-17,31,35H,18-22H2,1-3H3InChIKey
BUBSWYQEWQVCNH-UHFFFAOYSA-NSynonyms
2phenoxyethyl277trimethyl5oxo4(2phenylmethoxyphenyl)1468tetrahydroquinoline3carboxylate
2phenoxyethyl4(2(benzyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)OCCOC5=CC=CC=C5
InChI=1SC34H35NO5c12330(33(37)3919183825148591525)31(3227(3523)2034(23)2128(32)36)261610111729(26)402224126471324h4173135H1822H213H3
MFCD01193784
O=C(C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)(C)C)OCCOc1ccccc1
STK051490
ZINC000002757316
ZINC000002757317
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