Vitas-M small molecule compound
1,3-dimethyl-5-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL428726
SMILES C=CCN1C(=S)S/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)/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 C16H15N3O2S2 MW 345.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O2S2/c1-4-7-19-14(20)13(23-16(19)22)9-10-5-6-11-12(8-10)18(3)15(21)17(11)2/h4-6,8-9H,1,7H2,2-3H3/b13-9-InChIKey
ROMIAJWCNVEQOE-LCYFTJDESA-NSynonyms
(5Z)5((13DIMETHYL2OXOBENZIMIDAZOL5YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
13dimethyl5((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)13dihydro2Hbenzimidazol2one
C=CCN1C(=S)SC(=Cc2ccc3c(c2)n(C)c(=O)n3C)C1=O
CN1C2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC=C)N(C1=O)C
InChI=1SC16H15N3O2S2c1471914(20)13(2316(19)22)910561112(810)18(3)15(21)17(11)2h4689H17H223H3b139
MFCD03142461
ZINC000016156137
ZINC16156137
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