Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406094
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)c1ccco1)OCC1CCCO1
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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 C27H26BrNO7 MW 556.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrNO7/c1-14-24(27(31)34-12-16-4-2-6-32-16)25(17-10-22-23(11-18(17)28)36-13-35-22)26-19(29-14)8-15(9-20(26)30)21-5-3-7-33-21/h3,5,7,10-11,15-16,25,29H,2,4,6,8-9,12-13H2,1H3InChIKey
VZGMIIWVUDSPCS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC5=C(C=C4Br)OCO5)C(=O)OCC6CCCO6
InChI=1SC27H26BrNO7c11424(27(31)3412164263216)25(17102223(1118(17)28)36133522)2619(2914)815(920(26)30)215373321h357101115162529H246891213H21H3
MFCD04216503
oxolan2ylmethyl4(6bromo13benzodioxol5yl)7(furan2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(6bromo13benzodioxol5yl)7(furan2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000001132201
ZINC000059596150
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