Vitas-M small molecule compound
3-[(2E)-2-[(2Z)-2-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)ethylidene]-5-phenyl-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid
Catalog ID
STK325958
SMILES CCN1C(=S)S/C(=C\C=c/2\sc3c(n2CCCS(=O)(=O)O)cc(cc3)c2ccccc2)/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 C23H22N2O4S4 MW 518.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O4S4/c1-2-24-22(26)20(32-23(24)30)11-12-21-25(13-6-14-33(27,28)29)18-15-17(9-10-19(18)31-21)16-7-4-3-5-8-16/h3-5,7-12,15H,2,6,13-14H2,1H3,(H,27,28,29)/b20-11-,21-12+InChIKey
DVQZEYYQYBFAOR-WELBJSHPSA-NSynonyms
3((2E)2((2Z)2(3ethyl4oxo2sulfanylidene13thiazolidin5ylidene)ethylidene)5phenyl13benzothiazol3yl)propane1sulfonicacid
3((2E)2((2Z)2(3ethyl4oxo2thioxo13thiazolidin5ylidene)ethylidene)5phenyl13benzothiazol3(2H)yl)propane1sulfonicacid
CCN1C(=O)C(=CC=C2N(C3=C(S2)C=CC(=C3)C4=CC=CC=C4)CCCS(=O)(=O)O)SC1=S
CCN1C(=S)SC(=CC=c2sc3c(n2CCCS(=O)(=O)O)cc(cc3)c2ccccc2)C1=O
InChI=1SC23H22N2O4S4c122422(26)20(3223(24)30)11122125(1361433(2728)29)181517(91019(18)3121)167435816h3571215H261314H21H3(H272829)b20112112+
MFCD00643194
ZINC000018173697
ZINC18173697
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