Vitas-M small molecule compound
6-{(5Z)-5-[5-bromo-1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid
Catalog ID
STK702518
SMILES OC(=O)CCCCCN1C(=S)S/C(=C\2/c3cc(Br)ccc3N(C2=O)CC(=O)O)/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 C19H17BrN2O6S2 MW 513.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN2O6S2/c20-10-5-6-12-11(8-10)15(17(27)22(12)9-14(25)26)16-18(28)21(19(29)30-16)7-3-1-2-4-13(23)24/h5-6,8H,1-4,7,9H2,(H,23,24)(H,25,26)/b16-15-InChIKey
ZSHCGICTEVMSPA-NXVVXOECSA-NSynonyms
(Z)6(5(5bromo1(carboxymethyl)2oxoindolin3ylidene)4oxo2thioxothiazolidin3yl)hexanoicacid
6((5Z)5(5bromo1(carboxymethyl)2oxo12dihydro3Hindol3ylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)5(5BROMO1(CARBOXYMETHYL)2OXOINDOL3YLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
C1=CC2=C(C=C1Br)C(=C3C(=O)N(C(=S)S3)CCCCCC(=O)O)C(=O)N2CC(=O)O
InChI=1SC19H17BrN2O6S2c2010561211(810)15(17(27)22(12)914(25)26)1618(28)21(19(29)3016)7312413(23)24h568H1479H2(H2324)(H2526)b1615
MFCD02993876
OC(=O)CCCCCN1C(=S)SC(=C2c3cc(Br)ccc3N(C2=O)CC(=O)O)C1=O
ZINC000002301433
ZINC2301433
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