Vitas-M small molecule compound
ethyl 2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK674025
SMILES CCOC(=O)C1=C(N)N(C2=C(C1c1scc(c1)Br)C(=O)CC(C2)(C)C)c1cccc(c1)[N+](=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 C24H24BrN3O5S MW 546.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24BrN3O5S/c1-4-33-23(30)21-20(18-8-13(25)12-34-18)19-16(10-24(2,3)11-17(19)29)27(22(21)26)14-6-5-7-15(9-14)28(31)32/h5-9,12,20H,4,10-11,26H2,1-3H3InChIKey
SPLGWACRTRRFJC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CC(=CS3)Br)C(=O)CC(C2)(C)C)C4=CC(=CC=C4)(N+)(=O)(O))N
CCOC(=O)C1=C(N)N(C2=C(C1c1scc(c1)Br)C(=O)CC(C2)(C)C)c1cccc(c1)(N+)(=O)(O)
ethyl2amino4(4bromothiophen2yl)77dimethyl1(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ETHYL2AMINO4(4BROMOTHIOPHEN2YL)77DIMETHYL1(3NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBOXYLATE
InChI=1SC24H24BrN3O5Sc143323(30)2120(18813(25)123418)1916(1024(23)1117(19)29)27(22(21)26)1465715(914)28(31)32h591220H4101126H213H3
MFCD01233784
ZINC000000713945
ZINC000000713946
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