Vitas-M small molecule compound
2-phenoxyethyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363483
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)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 C28H29NO6 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO6/c1-17-24(27(31)33-12-11-32-19-7-5-4-6-8-19)25(18-9-10-22-23(13-18)35-16-34-22)26-20(29-17)14-28(2,3)15-21(26)30/h4-10,13,25,29H,11-12,14-16H2,1-3H3InChIKey
XOMABELEHUXGOM-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OCCOC5=CC=CC=C5
InChI=1SC28H29NO6c11724(27(31)33121132197546819)25(189102223(1318)35163422)2620(2917)1428(23)1521(26)30h410132529H11121416H213H3
MFCD01193855
ZINC000002928028
ZINC000019848694
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