Vitas-M small molecule compound
methyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK067345
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)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 C23H21NO5S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO5S/c1-12-20(23(26)27-2)21(13-5-6-17-18(10-13)29-11-28-17)22-15(24-12)8-14(9-16(22)25)19-4-3-7-30-19/h3-7,10,14,21,24H,8-9,11H2,1-2H3InChIKey
QGJZULCMKPJIBW-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1cccs1
InChI=1SC23H21NO5Sc11220(23(26)272)21(13561718(1013)29112817)2215(2412)814(916(22)25)194373019h3710142124H8911H212H3
methyl4(13benzodioxol5yl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
methyl4(13benzodioxol5yl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
MFCD02104995
STK067345
ZINC000000781156
ZINC000019925560
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