Vitas-M small molecule compound
N-(6-nitro-1,3-benzothiazol-2-yl)-N'-[2-nitro-4-(trifluoromethyl)phenyl]propane-1,3-diamine
Catalog ID
STK001533
SMILES [O-][N+](=O)c1cc(ccc1NCCCNc1nc2c(s1)cc(cc2)[N+](=O)[O-])C(F)(F)F
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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 C17H14F3N5O4S MW 441.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14F3N5O4S/c18-17(19,20)10-2-4-12(14(8-10)25(28)29)21-6-1-7-22-16-23-13-5-3-11(24(26)27)9-15(13)30-16/h2-5,8-9,21H,1,6-7H2,(H,22,23)InChIKey
DEEBWAGCXUXKRT-UHFFFAOYSA-NSynonyms
347310-12-7(O)(N+)(=O)c1cc(ccc1NCCCNc1nc2c(s1)cc(cc2)(N+)(=O)(O))C(F)(F)F
347310127
C1=CC(=C(C=C1C(F)(F)F)(N+)(=O)(O))NCCCNC2=NC3=C(S2)C=C(C=C3)(N+)(=O)(O)
InChI=1SC17H14F3N5O4Sc1817(1920)102412(14(810)25(28)29)21617221623135311(24(26)27)915(13)3016h258921H167H2(H2223)
MFCD02627847
N(6NITRO13BENZOTHIAZOL2YL)N(2NITRO4(TRIFLUOROMETHYL)PHENYL)PROPANE13DIAMINE
STK001533
ZINC000008855114
ZINC08855114
ZINC8855114
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