Vitas-M small molecule compound
2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STL035764
SMILES CCC(N1C(=S)S/C(=C/c2ccc3c(c2)OCO3)/C1=O)C(=O)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 C15H13NO5S2 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13NO5S2/c1-2-9(14(18)19)16-13(17)12(23-15(16)22)6-8-3-4-10-11(5-8)21-7-20-10/h3-6,9H,2,7H2,1H3,(H,18,19)/b12-6+InChIKey
WGXWDQBAQSRVGP-WUXMJOGZSA-NSynonyms
2((5E)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
2((5E)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
CCC(C(=O)O)N1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S
CCC(N1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O)C(=O)O
InChI=1SC15H13NO5S2c129(14(18)19)1613(17)12(2315(16)22)68341011(58)2172010h369H27H21H3(H1819)b126+
MFCD18192149
ZINC000008325776
ZINC000027530428
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