Vitas-M small molecule compound
{(5E)-5-[(1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Catalog ID
STK320548
SMILES OC(=O)CN1C(=S)S/C(=C/c2cc3c(cc2[N+](=O)[O-])n(c(=O)n3C)C)/C1=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 C15H12N4O6S2 MW 408.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12N4O6S2/c1-16-9-3-7(8(19(24)25)5-10(9)17(2)14(16)23)4-11-13(22)18(6-12(20)21)15(26)27-11/h3-5H,6H2,1-2H3,(H,20,21)/b11-4+InChIKey
CVGZYKKWZYUQCA-NYYWCZLTSA-NSynonyms
((5E)5((13DIMETHYL6NITRO2OXO23DIHYDRO1HBENZIMIDAZOL5YL)METHYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)ACETICACID
2((5E)5((13DIMETHYL6NITRO2OXOBENZIMIDAZOL5YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
CN1C2=C(C=C(C(=C2)C=C3C(=O)N(C(=S)S3)CC(=O)O)(N+)(=O)(O))N(C1=O)C
InChI=1SC15H12N4O6S2c116937(8(19(24)25)510(9)17(2)14(16)23)41113(22)18(612(20)21)15(26)2711h35H6H212H3(H2021)b114+
MFCD07065552
OC(=O)CN1C(=S)SC(=Cc2cc3c(cc2(N+)(=O)(O))n(c(=O)n3C)C)C1=O
ZINC000012652806
ZINC12652806
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