Vitas-M small molecule compound
4-(4-hydroxy-3-nitrophenyl)-2,7,7-trimethyl-3-(morpholin-4-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Catalog ID
STK403792
SMILES CC1=C(C(=O)N2CCOCC2)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(c(c1)[N+](=O)[O-])O
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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 C23H27N3O6 MW 441.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O6/c1-13-19(22(29)25-6-8-32-9-7-25)20(14-4-5-17(27)16(10-14)26(30)31)21-15(24-13)11-23(2,3)12-18(21)28/h4-5,10,20,24,27H,6-9,11-12H2,1-3H3InChIKey
MPJWAENIKSSUAQ-UHFFFAOYSA-NSynonyms
4(4hydroxy3nitrophenyl)277trimethyl3(morpholin4ylcarbonyl)4678tetrahydroquinolin5(1H)one
4(4hydroxy3nitrophenyl)277trimethyl3(morpholine4carbonyl)1468tetrahydroquinolin5one
CC1=C(C(=O)N2CCOCC2)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(c(c1)(N+)(=O)(O))O
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)O)(N+)(=O)(O))C(=O)N4CCOCC4
InChI=1SC23H27N3O6c11319(22(29)2568329725)20(144517(27)16(1014)26(30)31)2115(2413)1123(23)1218(21)28h4510202427H691112H213H3
MFCD03632527
ZINC000019633679
ZINC000019633683
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