Vitas-M small molecule compound
4-{(3E)-5-bromo-3-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}butanoic acid
Catalog ID
STL294821
SMILES OC(=O)CCCN1C(=O)/C(=C\2/SC(=S)N(C2=O)CC(=O)O)/c2c1ccc(c2)Br
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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 C17H13BrN2O6S2 MW 485.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrN2O6S2/c18-8-3-4-10-9(6-8)13(15(25)19(10)5-1-2-11(21)22)14-16(26)20(7-12(23)24)17(27)28-14/h3-4,6H,1-2,5,7H2,(H,21,22)(H,23,24)/b14-13+InChIKey
HUAJVZNNWAIPHZ-BUHFOSPRSA-NSynonyms
4((3E)5bromo3(3(carboxymethyl)4oxo2sulfanylidene13thiazolidin5ylidene)2oxoindol1yl)butanoicacid
4((3E)5bromo3(3(carboxymethyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)butanoicacid
C1=CC2=C(C=C1Br)C(=C3C(=O)N(C(=S)S3)CC(=O)O)C(=O)N2CCCC(=O)O
InChI=1SC17H13BrN2O6S2c18834109(68)13(15(25)19(10)51211(21)22)1416(26)20(712(23)24)17(27)2814h346H1257H2(H2122)(H2324)b1413+
MFCD27966444
OC(=O)CCCN1C(=O)C(=C2SC(=S)N(C2=O)CC(=O)O)c2c1ccc(c2)Br
ZINC000095470854
ZINC95470854
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