Vitas-M small molecule compound
2-phenoxyethyl 4-(3-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK378091
SMILES Oc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)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 C27H29NO5 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5/c1-17-23(26(31)33-13-12-32-20-10-5-4-6-11-20)24(18-8-7-9-19(29)14-18)25-21(28-17)15-27(2,3)16-22(25)30/h4-11,14,24,28-29H,12-13,15-16H2,1-3H3InChIKey
HRNPUKMBWQJUBX-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(3hydroxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(3hydroxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)O)C(=O)OCCOC4=CC=CC=C4
InChI=1SC27H29NO5c11723(26(31)3313123220105461120)24(1887919(29)1418)2521(2817)1527(23)1622(25)30h41114242829H12131516H213H3
MFCD01814422
ZINC000002063691
ZINC000095531882
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Check stock on Vitas-MAvailable files
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