Vitas-M small molecule compound
2-(3-chloro-4-fluorophenyl)-4,6-dinitro-1,2-benzothiazol-3(2H)-one
Catalog ID
STK689391
SMILES [O-][N+](=O)c1cc(cc2c1c(=O)n(s2)c1ccc(c(c1)Cl)F)[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 C13H5ClFN3O5S MW 369.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H5ClFN3O5S/c14-8-3-6(1-2-9(8)15)16-13(19)12-10(18(22)23)4-7(17(20)21)5-11(12)24-16/h1-5HInChIKey
YXYPHECATYPGTA-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(cc2c1c(=O)n(s2)c1ccc(c(c1)Cl)F)(N+)(=O)(O)
2(3CHLORANYL4FLUORANYLPHENYL)46DINITRO12BENZOTHIAZOL3ONE
2(3chloro4fluorophenyl)46dinitro12benzothiazol3(2H)one
2(3CHLORO4FLUOROPHENYL)46DINITRO12BENZOTHIAZOL3ONE
C1=CC(=C(C=C1N2C(=O)C3=C(C=C(C=C3S2)(N+)(=O)(O))(N+)(=O)(O))Cl)F
InChI=1SC13H5ClFN3O5Sc14836(129(8)15)1613(19)1210(18(22)23)47(17(20)21)511(12)2416h15H
MFCD08142468
ZINC000006668336
ZINC06668336
ZINC6668336
Check stock
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