Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK016178
SMILES COc1ccc(cc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1)Br
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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 C27H28BrNO5S MW 558.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28BrNO5S/c1-15-24(27(31)34-14-18-5-3-9-33-18)25(19-13-17(28)7-8-22(19)32-2)26-20(29-15)11-16(12-21(26)30)23-6-4-10-35-23/h4,6-8,10,13,16,18,25,29H,3,5,9,11-12,14H2,1-2H3InChIKey
RLWFXSKFFBTRMC-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C=CC(=C4)Br)OC)C(=O)OCC5CCCO5
COc1ccc(cc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1)Br
InChI=1SC27H28BrNO5Sc11524(27(31)3414185393318)25(191317(28)7822(19)322)2620(2915)1116(1221(26)30)2364103523h468101316182529H359111214H212H3
MFCD02627328
oxolan2ylmethyl4(5bromo2methoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
STK016178
tetrahydrofuran2ylmethyl4(5bromo2methoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ZINC000100833806
ZINC000229944717
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