Vitas-M small molecule compound
1,3-dimethyl-5-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL376569
SMILES S=C1S/C(=C/c2cc3c(cc2[N+](=O)[O-])n(c(=O)n3C)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 C14H12N4O4S2 MW 364.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N4O4S2/c1-15-9-4-7(5-11-12(19)17(3)14(23)24-11)8(18(21)22)6-10(9)16(2)13(15)20/h4-6H,1-3H3/b11-5+InChIKey
KTRSIVRBZOEWKY-VZUCSPMQSA-NSynonyms
(5E)5((13DIMETHYL6NITRO2OXOBENZIMIDAZOL5YL)METHYLIDENE)3METHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
13dimethyl5((E)(3methyl4oxo2thioxo13thiazolidin5ylidene)methyl)6nitro13dihydro2Hbenzimidazol2one
CN1C2=C(C=C(C(=C2)C=C3C(=O)N(C(=S)S3)C)(N+)(=O)(O))N(C1=O)C
InChI=1SC14H12N4O4S2c115947(51112(19)17(3)14(23)2411)8(18(21)22)610(9)16(2)13(15)20h46H13H3b115+
MFCD06781360
S=C1SC(=Cc2cc3c(cc2(N+)(=O)(O))n(c(=O)n3C)C)C(=O)N1C
ZINC000008375809
ZINC08375809
ZINC8375809
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