Vitas-M small molecule compound
2,2-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine
Catalog ID
STK047913
SMILES [O-][N+](=O)c1ccc2c(c1)sc(n2)NCC(CNc1ccc(c2c1nccc2)[N+](=O)[O-])(C)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 C21H20N6O4S MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O4S/c1-21(2,12-24-20-25-15-6-5-13(26(28)29)10-18(15)32-20)11-23-16-7-8-17(27(30)31)14-4-3-9-22-19(14)16/h3-10,23H,11-12H2,1-2H3,(H,24,25)InChIKey
FANJCJHEFHVMEZ-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc2c(c1)sc(n2)NCC(CNc1ccc(c2c1nccc2)(N+)(=O)(O))(C)C
22DIMETHYLN(6NITRO13BENZOTHIAZOL2YL)N(5NITROQUINOLIN8YL)PROPANE13DIAMINE
22dimethylN1(6nitrobenzo(d)thiazol2yl)N3(5nitroquinolin8yl)propane13diamine
CC(C)(CNC1=C2C(=C(C=C1)(N+)(=O)(O))C=CC=N2)CNC3=NC4=C(S3)C=C(C=C4)(N+)(=O)(O)
InChI=1SC21H20N6O4Sc121(212242025156513(26(28)29)1018(15)3220)1123167817(27(30)31)144392219(14)16h31023H1112H212H3(H2425)
MFCD02627848
STK047913
ZINC000009197378
ZINC09197378
ZINC9197378
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