Vitas-M small molecule compound
2-phenylethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363382
SMILES COc1cc(ccc1OCc1ccccc1)C1C2=C(NC(=C1C(=O)OCCc1ccccc1)C)CC(CC2=O)(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 C35H37NO5 MW 551.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H37NO5/c1-23-31(34(38)40-18-17-24-11-7-5-8-12-24)32(33-27(36-23)20-35(2,3)21-28(33)37)26-15-16-29(30(19-26)39-4)41-22-25-13-9-6-10-14-25/h5-16,19,32,36H,17-18,20-22H2,1-4H3InChIKey
IMKYFDLYCAPGDQ-UHFFFAOYSA-NSynonyms
313244-59-62phenylethyl4(3methoxy4phenylmethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
2phenylethyl4(4(benzyloxy)3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
313244596
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCCC5=CC=CC=C5
InChI=1SC35H37NO5c12331(34(38)40181724117581224)32(3327(3623)2035(23)2128(33)37)26151629(30(1926)394)4122251396101425h516193236H17182022H214H3
MFCD01367230
ZINC000002082407
ZINC000002082408
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