Vitas-M small molecule compound
2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402363
SMILES CC(Oc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOc1ccccc1)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 C30H35NO5 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO5/c1-19(2)36-25-14-10-9-13-22(25)27-26(29(33)35-16-15-34-21-11-7-6-8-12-21)20(3)31-23-17-30(4,5)18-24(32)28(23)27/h6-14,19,27,31H,15-18H2,1-5H3InChIKey
JKFCLRGOTYEJLZ-UHFFFAOYSA-NSynonyms
2phenoxyethyl277trimethyl5oxo4(2(propan2yloxy)phenyl)145678hexahydroquinoline3carboxylate
2phenoxyethyl277trimethyl5oxo4(2propan2yloxyphenyl)1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3OC(C)C)C(=O)OCCOC4=CC=CC=C4
InChI=1SC30H35NO5c119(2)3625141091322(25)2726(29(33)3516153421117681221)20(3)31231730(45)1824(32)28(23)27h614192731H1518H215H3
MFCD01306173
ZINC000019848636
ZINC000019848638
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