Vitas-M small molecule compound
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Catalog ID
STK074347
SMILES CCC(C(=O)Nc1nc2c(s1)cc(cc2)[N+](=O)[O-])Sc1nc(C)cc(n1)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 C17H17N5O3S2 MW 403.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O3S2/c1-4-13(26-16-18-9(2)7-10(3)19-16)15(23)21-17-20-12-6-5-11(22(24)25)8-14(12)27-17/h5-8,13H,4H2,1-3H3,(H,20,21,23)InChIKey
LLJIUHDFBJNHHZ-UHFFFAOYSA-NSynonyms
522651-65-6(2S)2((46DIMETHYLPYRIMIDIN2YL)SULFANYL)N(6NITRO13BENZOTHIAZOL2YL)BUTANAMIDE
2((46DIMETHYLPYRIMIDIN2YL)SULFANYL)N(6NITRO13BENZOTHIAZOL2YL)BUTANAMIDE
2(46DIMETHYLPYRIMIDIN2YL)SULFANYLN(6NITRO13BENZOTHIAZOL2YL)BUTANAMIDE
522651656
CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)(N+)(=O)(O))SC3=NC(=CC(=N3)C)C
CCC(C(=O)Nc1nc2c(s1)cc(cc2)(N+)(=O)(O))Sc1nc(C)cc(n1)C
InChI=1SC17H17N5O3S2c1413(2616189(2)710(3)1916)15(23)211720126511(22(24)25)814(12)2717h5813H4H213H3(H202123)
MFCD03487930
STK074347
ZINC000002746452
ZINC000002746453
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