Vitas-M small molecule compound
2-phenoxyethyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK040248
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)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 C28H29NO7 MW 491.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO7/c1-17-25(28(32)35-15-14-34-20-8-5-4-6-9-20)26(27-21(29-17)10-7-11-22(27)31)19-12-13-23(36-18(2)30)24(16-19)33-3/h4-6,8-9,12-13,16,26,29H,7,10-11,14-15H2,1-3H3InChIKey
CWEVDODXUCOSFM-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(4(acetyloxy)3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(4acetyloxy3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)OCCOC4=CC=CC=C4
COc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCOc1ccccc1
InChI=1SC28H29NO7c11725(28(32)35151434208546920)26(2721(2917)1071122(27)31)19121323(3618(2)30)24(1619)333h46891213162629H710111415H213H3
MFCD02188179
STK040248
ZINC000002776238
ZINC000002776239
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