Vitas-M small molecule compound
2-[(5Z)-5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid
Catalog ID
STL069894
SMILES CCCCOc1ccc(cc1OC)/C=C/1\SC(=S)N(C1=O)C(C(=O)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 C19H21NO7S2 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO7S2/c1-3-4-7-27-13-6-5-11(8-14(13)26-2)9-15-17(23)20(19(28)29-15)12(18(24)25)10-16(21)22/h5-6,8-9,12H,3-4,7,10H2,1-2H3,(H,21,22)(H,24,25)/b15-9-InChIKey
FJMVLSCPMNQWGU-DHDCSXOGSA-NSynonyms
872696-32-72((5Z)5((4BUTOXY3METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANEDIOICACID
2((5Z)5(4butoxy3methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)butanedioicacid
2(5((4BUTOXY3METHOXYPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANEDIOICACID
872696327
CCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C(CC(=O)O)C(=O)O)OC
CCCCOc1ccc(cc1OC)C=C1SC(=S)N(C1=O)C(C(=O)O)CC(=O)O
InChI=1SC19H21NO7S2c134727136511(814(13)262)91517(23)20(19(28)2915)12(18(24)25)1016(21)22h568912H34710H212H3(H2122)(H2425)b159
MFCD06737608
ZINC000009518811
ZINC000012140504
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