Vitas-M small molecule compound
11-{(5Z)-5-[5-bromo-1-(carboxymethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}undecanoic acid
Catalog ID
STK702501
SMILES OC(=O)CCCCCCCCCCN1C(=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 C24H27BrN2O6S2 MW 583.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27BrN2O6S2/c25-15-10-11-17-16(13-15)20(22(32)27(17)14-19(30)31)21-23(33)26(24(34)35-21)12-8-6-4-2-1-3-5-7-9-18(28)29/h10-11,13H,1-9,12,14H2,(H,28,29)(H,30,31)/b21-20-InChIKey
BECVNNGBGVTSRA-MRCUWXFGSA-NSynonyms
(Z)11(5(5bromo1(carboxymethyl)2oxoindolin3ylidene)4oxo2thioxothiazolidin3yl)undecanoicacid
11((5Z)5(5bromo1(carboxymethyl)2oxo12dihydro3Hindol3ylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5(5BROMO1(CARBOXYMETHYL)2OXOINDOL3YLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
C1=CC2=C(C=C1Br)C(=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C(=O)N2CC(=O)O
InChI=1SC24H27BrN2O6S2c251510111716(1315)20(22(32)27(17)1419(30)31)2123(33)26(24(34)3521)1286421357918(28)29h101113H191214H2(H2829)(H3031)b2120
MFCD02991977
OC(=O)CCCCCCCCCCN1C(=S)SC(=C2c3cc(Br)ccc3N(C2=O)CC(=O)O)C1=O
ZINC000100836799
ZINC100836799
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