Vitas-M small molecule compound
3-[(2E)-2-[(2Z)-2-(4-oxo-3-phenyl-2-thioxo-1,3-thiazolidin-5-ylidene)ethylidene]-5-phenyl-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonic acid
Catalog ID
STK325959
SMILES S=C1S/C(=C\C=c/2\sc3c(n2CCCS(=O)(=O)O)cc(cc3)c2ccccc2)/C(=O)N1c1ccccc1
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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 C27H22N2O4S4 MW 566.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O4S4/c30-26-24(36-27(34)29(26)21-10-5-2-6-11-21)14-15-25-28(16-7-17-37(31,32)33)22-18-20(12-13-23(22)35-25)19-8-3-1-4-9-19/h1-6,8-15,18H,7,16-17H2,(H,31,32,33)/b24-14-,25-15+InChIKey
HFWUQXRIDPKGLU-WJVNUPORSA-NSynonyms
3((2E)2((2Z)2(4oxo3phenyl2sulfanylidene13thiazolidin5ylidene)ethylidene)5phenyl13benzothiazol3yl)propane1sulfonicacid
3((2E)2((2Z)2(4OXO3PHENYL2THIOXO13THIAZOLIDIN5YLIDENE)ETHYLIDENE)5PHENYL13BENZOTHIAZOL3(2H)YL)PROPANE1SULFONICACID
C1=CC=C(C=C1)C2=CC3=C(C=C2)SC(=CC=C4C(=O)N(C(=S)S4)C5=CC=CC=C5)N3CCCS(=O)(=O)O
InChI=1SC27H22N2O4S4c302624(3627(34)29(26)21105261121)14152528(1671737(3132)33)221820(121323(22)3525)198314919h1681518H71617H2(H313233)b24142515+
MFCD00643197
S=C1SC(=CC=c2sc3c(n2CCCS(=O)(=O)O)cc(cc3)c2ccccc2)C(=O)N1c1ccccc1
ZINC000097965507
ZINC97965507
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