Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK073868
SMILES O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CCC2)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 C23H24ClNO6 MW 445.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClNO6/c1-12-20(23(27)29-10-13-4-3-7-28-13)21(22-16(25-12)5-2-6-17(22)26)14-8-18-19(9-15(14)24)31-11-30-18/h8-9,13,21,25H,2-7,10-11H2,1H3InChIKey
CCYIHSKRKWVUFP-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3Cl)OCO4)C(=O)OCC5CCCO5
InChI=1SC23H24ClNO6c11220(23(27)2910134372813)21(2216(2512)52617(22)26)1481819(915(14)24)31113018h89132125H271011H21H3
MFCD01655982
O=C(C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CCC2)OCC1CCCO1
oxolan2ylmethyl4(6chloro13benzodioxol5yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK073868
tetrahydrofuran2ylmethyl4(6chloro13benzodioxol5yl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000019644039
ZINC000019644045
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