Vitas-M small molecule compound
4-(4-chloro-3-nitrophenyl)-2-methyl-3-(morpholin-4-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Catalog ID
STK403791
SMILES CC1=C(C(=O)N2CCOCC2)C(C2=C(N1)CCCC2=O)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C21H22ClN3O5 MW 431.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O5/c1-12-18(21(27)24-7-9-30-10-8-24)19(20-15(23-12)3-2-4-17(20)26)13-5-6-14(22)16(11-13)25(28)29/h5-6,11,19,23H,2-4,7-10H2,1H3InChIKey
ZKJQWOABIJSRPF-UHFFFAOYSA-NSynonyms
4(4chloro3nitrophenyl)2methyl3(morpholin4ylcarbonyl)4678tetrahydroquinolin5(1H)one
4(4chloro3nitrophenyl)2methyl3(morpholine4carbonyl)4678tetrahydro1Hquinolin5one
CC1=C(C(=O)N2CCOCC2)C(C2=C(N1)CCCC2=O)c1ccc(c(c1)(N+)(=O)(O))Cl
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)N4CCOCC4
InChI=1SC21H22ClN3O5c11218(21(27)24793010824)19(2015(2312)32417(20)26)135614(22)16(1113)25(28)29h56111923H24710H21H3
MFCD03632526
ZINC000002796932
ZINC000002796933
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