Vitas-M small molecule compound
butan-2-yl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK003381
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CCC2)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 C22H24ClNO5 MW 417.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClNO5/c1-4-11(2)29-22(26)19-12(3)24-15-6-5-7-16(25)21(15)20(19)13-8-17-18(9-14(13)23)28-10-27-17/h8-9,11,20,24H,4-7,10H2,1-3H3InChIKey
VWAJHVBNHSKGTF-UHFFFAOYSA-NSynonyms
347312-87-2347312872
butan2yl4(6chloro13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(6chloro13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Cl)OCO4)C(=O)CCC2)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CCC2)C
InChI=1SC22H24ClNO5c1411(2)2922(26)1912(3)241565716(25)21(15)20(19)1381718(914(13)23)28102717h89112024H4710H213H3
MFCD02188006
STK003381
ZINC000019798436
ZINC000019798439
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