Vitas-M small molecule compound
3-{(5Z)-5-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
Catalog ID
STL221169
SMILES OC(=O)CCN1C(=S)S/C(=C\c2cn(nc2C)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 C12H13N3O3S2 MW 311.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O3S2/c1-7-8(6-14(2)13-7)5-9-11(18)15(12(19)20-9)4-3-10(16)17/h5-6H,3-4H2,1-2H3,(H,16,17)/b9-5-InChIKey
NMONGIIGCCYFRJ-UITAMQMPSA-NSynonyms
3((5Z)5((13dimethyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((13dimethylpyrazol4yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)propanoicacid
CC1=NN(C=C1C=C2C(=O)N(C(=S)S2)CCC(=O)O)C
InChI=1SC12H13N3O3S2c178(614(2)137)5911(18)15(12(19)209)4310(16)17h56H34H212H3(H1617)b95
MFCD23699870
OC(=O)CCN1C(=S)SC(=Cc2cn(nc2C)C)C1=O
ZINC000080345675
ZINC80345675
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