Vitas-M small molecule compound
methyl 3-{[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate
Catalog ID
STK204322
SMILES CCOCCc1nnc(s1)NC(=O)c1cc(cc(c1)C(=O)OC)[N+](=O)[O-]
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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 C15H16N4O6S MW 380.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O6S/c1-3-25-5-4-12-17-18-15(26-12)16-13(20)9-6-10(14(21)24-2)8-11(7-9)19(22)23/h6-8H,3-5H2,1-2H3,(H,16,18,20)InChIKey
VCOQVBMVFLRHOV-UHFFFAOYSA-NSynonyms
827617-53-8827617538
CCOCCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
CCOCCc1nnc(s1)NC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O)
InChI=1SC15H16N4O6Sc13255412171815(2612)1613(20)9610(14(21)242)811(79)19(22)23h68H35H212H3(H161820)
METHYL3((5(2ETHOXYETHYL)134THIADIAZOL2YL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(5(2ETHOXYETHYL)(134THIADIAZOL2YL))CARBAMOYL)3NITROBENZOATE
MFCD06153162
ZINC000002873268
ZINC02873268
ZINC2873268
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