Vitas-M small molecule compound
{(5Z)-5-[3-methoxy-4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Catalog ID
STK994906
SMILES CCCCCCCCOc1ccc(cc1OC)/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 C21H27NO5S2 MW 437.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO5S2/c1-3-4-5-6-7-8-11-27-16-10-9-15(12-17(16)26-2)13-18-20(25)22(14-19(23)24)21(28)29-18/h9-10,12-13H,3-8,11,14H2,1-2H3,(H,23,24)/b18-13-InChIKey
NBOTZDIQEWRAIS-AQTBWJFISA-NSynonyms
((5Z)5(3methoxy4(octyloxy)benzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((3METHOXY4OCTOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
2(5((3METHOXY4OCTYLOXYPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)ACETICACID
CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OC
CCCCCCCCOc1ccc(cc1OC)C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC21H27NO5S2c134567811271610915(1217(16)262)131820(25)22(1419(23)24)21(28)2918h9101213H381114H212H3(H2324)b1813
MFCD06258721
ZINC000097946016
ZINC97946016
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