Vitas-M small molecule compound
4-methoxybenzyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK061775
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(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 C28H29NO6 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO6/c1-16-24(27(31)33-14-17-5-8-19(32-4)9-6-17)25(18-7-10-22-23(11-18)35-15-34-22)26-20(29-16)12-28(2,3)13-21(26)30/h5-11,25,29H,12-15H2,1-4H3InChIKey
YELOTMMJZVEGPC-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
4methoxybenzyl4(13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OCC5=CC=C(C=C5)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C
InChI=1SC28H29NO6c11624(27(31)3314175819(324)9617)25(187102223(1118)35153422)2620(2916)1228(23)1321(26)30h5112529H1215H214H3
MFCD02375901
STK061775
ZINC000001202011
ZINC000001202015
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