Vitas-M small molecule compound
methyl 3-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK204320
SMILES CCCCc1nnc(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 C15H16N4O5S MW 364.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O5S/c1-3-4-5-12-17-18-15(25-12)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
PPDGBFXPYPAQNK-UHFFFAOYSA-NSynonyms
827617-51-6827617516
CCCCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
CCCCc1nnc(s1)NC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O)
InChI=1SC15H16N4O5Sc134512171815(2512)1613(20)9610(14(21)242)811(79)19(22)23h68H35H212H3(H161820)
METHYL3((5BUTYL134THIADIAZOL2YL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(5BUTYL(134THIADIAZOL2YL))CARBAMOYL)3NITROBENZOATE
MFCD06153160
ZINC000002878030
ZINC02878030
ZINC2878030
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