Vitas-M small molecule compound
4-[({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-(piperidin-1-yl)-1,3,5-triazin-2-amine
Catalog ID
STK780485
SMILES Nc1nc(CSc2nnc(n2C)Cn2c(C)ncc2[N+](=O)[O-])nc(n1)N1CCCCC1
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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 C17H23N11O2S MW 445.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N11O2S/c1-11-19-8-14(28(29)30)27(11)9-13-23-24-17(25(13)2)31-10-12-20-15(18)22-16(21-12)26-6-4-3-5-7-26/h8H,3-7,9-10H2,1-2H3,(H2,18,20,21,22)InChIKey
OXHBBXUSIOUMOF-UHFFFAOYSA-NSynonyms
4(((4methyl5((2methyl5nitro1Himidazol1yl)methyl)4H124triazol3yl)sulfanyl)methyl)6(piperidin1yl)135triazin2amine
4((4METHYL5((2METHYL5NITROIMIDAZOL1YL)METHYL)124TRIAZOL3YL)SULFANYLMETHYL)6PIPERIDIN1YL135TRIAZIN2AMINE
CC1=NC=C(N1CC2=NN=C(N2C)SCC3=NC(=NC(=N3)N)N4CCCCC4)(N+)(=O)(O)
InChI=1SC17H23N11O2Sc11119814(28(29)30)27(11)913232417(25(13)2)3110122015(18)2216(2112)266435726h8H37910H212H3(H218202122)
MFCD05860475
Nc1nc(CSc2nnc(n2C)Cn2c(C)ncc2(N+)(=O)(O))nc(n1)N1CCCCC1
ZINC000012427687
ZINC12427687
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