Vitas-M small molecule compound
N,N-dimethyl-6-[({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,3,5-triazine-2,4-diamine
Catalog ID
STK780484
SMILES Nc1nc(CSc2nnc(n2C)Cn2c(C)ncc2[N+](=O)[O-])nc(n1)N(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 C14H19N11O2S MW 405.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H19N11O2S/c1-8-16-5-11(25(26)27)24(8)6-10-20-21-14(23(10)4)28-7-9-17-12(15)19-13(18-9)22(2)3/h5H,6-7H2,1-4H3,(H2,15,17,18,19)InChIKey
JLBOIAONPGCJJL-UHFFFAOYSA-NSynonyms
2N2NDIMETHYL6((4METHYL5((2METHYL5NITROIMIDAZOL1YL)METHYL)124TRIAZOL3YL)SULFANYLMETHYL)135TRIAZINE24DIAMINE
CC1=NC=C(N1CC2=NN=C(N2C)SCC3=NC(=NC(=N3)N(C)C)N)(N+)(=O)(O)
InChI=1SC14H19N11O2Sc1816511(25(26)27)24(8)610202114(23(10)4)28791712(15)1913(189)22(2)3h5H67H214H3(H215171819)
MFCD05860474
Nc1nc(CSc2nnc(n2C)Cn2c(C)ncc2(N+)(=O)(O))nc(n1)N(C)C
NNdimethyl6(((4methyl5((2methyl5nitro1Himidazol1yl)methyl)4H124triazol3yl)sulfanyl)methyl)135triazine24diamine
ZINC000012427686
ZINC12427686
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