Vitas-M small molecule compound
methyl 4-{[(2E,5E)-3-methyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoate
Catalog ID
STK107489
SMILES COC(=O)c1ccc(cc1)/N=C\1/S/C(=C/c2ccc(c(c2)[N+](=O)[O-])C)/C(=O)N1C
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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 C20H17N3O5S MW 411.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5S/c1-12-4-5-13(10-16(12)23(26)27)11-17-18(24)22(2)20(29-17)21-15-8-6-14(7-9-15)19(25)28-3/h4-11H,1-3H3/b17-11+,21-20+InChIKey
VAIFFDRJRVGNKV-QTFLQNGUSA-NSynonyms
COC(=O)c1ccc(cc1)N=C1SC(=Cc2ccc(c(c2)(N+)(=O)(O))C)C(=O)N1C
methyl4(((2E5E)3methyl5(4methyl3nitrobenzylidene)4oxo13thiazolidin2ylidene)amino)benzoate
MFCD03568920
ZINC000004680244
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