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butane-1,4-diyl bis[4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate]

Catalog ID
STK072172
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)OCCCCOC(=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 C44H48N2O10 MW 764.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H48N2O10/c1-23-35(37(25-9-11-31-33(15-25)55-21-53-31)39-27(45-23)17-43(3,4)19-29(39)47)41(49)51-13-7-8-14-52-42(50)36-24(2)46-28-18-44(5,6)20-30(48)40(28)38(36)26-10-12-32-34(16-26)56-22-54-32/h9-12,15-16,37-38,45-46H,7-8,13-14,17-22H2,1-6H3
InChIKey
ZJEATMIYOZOGFA-UHFFFAOYSA-N
Synonyms

4(4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carbonyl)oxybutyl4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
butane14diylbis(4(13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate)
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OCCCCOC(=O)C5=C(NC6=C(C5C7=CC8=C(C=C7)OCO8)C(=O)CC(C6)(C)C)C
InChI=1SC44H48N2O10c12335(37(259113133(1525)55215331)3927(4523)1743(34)1929(39)47)41(49)511378145242(50)3624(2)46281844(56)2030(48)40(28)38(36)2610123234(1626)56225432h912151637384546H7813141722H216H3
MFCD01528037
O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)OCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C
STK072172
ZINC000150364593
ZINC000150364597

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Available files

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