Vitas-M small molecule compound
methyl 2-methyl-4-(5-methylfuran-2-yl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK033558
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(o1)C)C(=O)CC(C2)c1cccs1
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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 C21H21NO4S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4S/c1-11-6-7-16(26-11)20-18(21(24)25-3)12(2)22-14-9-13(10-15(23)19(14)20)17-5-4-8-27-17/h4-8,13,20,22H,9-10H2,1-3H3InChIKey
BXHYNXULWASURE-UHFFFAOYSA-NSynonyms
305362-34-9305362349
CC1=CC=C(O1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC(=C2C(=O)OC)C
COC(=O)C1=C(C)NC2=C(C1c1ccc(o1)C)C(=O)CC(C2)c1cccs1
InChI=1SC21H21NO4Sc1116716(2611)2018(21(24)253)12(2)2214913(1015(23)19(14)20)175482717h48132022H910H213H3
methyl2methyl4(5methylfuran2yl)5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl2methyl4(5methylfuran2yl)5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD02104978
STK033558
ZINC000000781142
ZINC000000781145
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