Vitas-M small molecule compound
3-{[(6-bromo-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazole
Catalog ID
STK780687
SMILES Cn1c(nnc1Cn1c(C)ncc1[N+](=O)[O-])SCc1cc2OCOc2cc1Br
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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 C16H15BrN6O4S MW 467.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15BrN6O4S/c1-9-18-5-15(23(24)25)22(9)6-14-19-20-16(21(14)2)28-7-10-3-12-13(4-11(10)17)27-8-26-12/h3-5H,6-8H2,1-2H3InChIKey
GCAQQFSJVZAAHO-UHFFFAOYSA-NSynonyms
3(((6bromo13benzodioxol5yl)methyl)sulfanyl)4methyl5((2methyl5nitro1Himidazol1yl)methyl)4H124triazole
3((6BROMO13BENZODIOXOL5YL)METHYLSULFANYL)4METHYL5((2METHYL5NITROIMIDAZOL1YL)METHYL)124TRIAZOLE
CC1=NC=C(N1CC2=NN=C(N2C)SCC3=CC4=C(C=C3Br)OCO4)(N+)(=O)(O)
Cn1c(nnc1Cn1c(C)ncc1(N+)(=O)(O))SCc1cc2OCOc2cc1Br
InChI=1SC16H15BrN6O4Sc1918515(23(24)25)22(9)614192016(21(14)2)2871031213(411(10)17)2782612h35H68H212H3
MFCD06013504
ZINC000001431936
ZINC01431936
ZINC1431936
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