Vitas-M small molecule compound
[(5Z)-5-({1-[3-(ethoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL371420
SMILES CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C/1\SC(=S)N(C1=O)CC(=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 C21H20N2O5S2 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S2/c1-4-28-20(27)14-6-5-7-16(9-14)23-12(2)8-15(13(23)3)10-17-19(26)22(11-18(24)25)21(29)30-17/h5-10H,4,11H2,1-3H3,(H,24,25)/b17-10-InChIKey
FLIBSOVBJYFBFA-YVLHZVERSA-NSynonyms
((5Z)5((1(3(ethoxycarbonyl)phenyl)25dimethyl1Hpyrrol3yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((1(3ETHOXYCARBONYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=O)N(C(=S)S3)CC(=O)O)C
CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC21H20N2O5S2c142820(27)1465716(914)2312(2)815(13(23)3)101719(26)22(1118(24)25)21(29)3017h510H411H213H3(H2425)b1710
MFCD05134434
ZINC000038202753
ZINC38202753
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