Vitas-M small molecule compound
2-[(5Z)-5-(1-acetyl-5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid
Catalog ID
STK994703
SMILES CSCCC(N1C(=S)S/C(=C\2/c3cc(Br)ccc3N(C2=O)C(=O)C)/C1=O)C(=O)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 C18H15BrN2O5S3 MW 515.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrN2O5S3/c1-8(22)20-11-4-3-9(19)7-10(11)13(15(20)23)14-16(24)21(18(27)29-14)12(17(25)26)5-6-28-2/h3-4,7,12H,5-6H2,1-2H3,(H,25,26)/b14-13-InChIKey
PVBRKJNHKVQOAC-YPKPFQOOSA-NSynonyms
(Z)2(5(1acetyl5bromo2oxoindolin3ylidene)4oxo2thioxothiazolidin3yl)4(methylthio)butanoicacid
2((5Z)5(1acetyl5bromo2oxo12dihydro3Hindol3ylidene)4oxo2thioxo13thiazolidin3yl)4(methylsulfanyl)butanoicacid
2((5Z)5(1ACETYL5BROMO2OXOINDOL3YLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)4METHYLSULFANYLBUTANOICACID
2(5(1ACETYL5BROMO2OXOBENZO(D)AZOLIN3YLIDENE)4OXO2THIOXO(13THIAZOLIDIN3YL))4METHYLTHIOBUTANOICACID
CC(=O)N1C2=C(C=C(C=C2)Br)C(=C3C(=O)N(C(=S)S3)C(CCSC)C(=O)O)C1=O
CSCCC(N1C(=S)SC(=C2c3cc(Br)ccc3N(C2=O)C(=O)C)C1=O)C(=O)O
InChI=1SC18H15BrN2O5S3c18(22)2011439(19)710(11)13(15(20)23)1416(24)21(18(27)2914)12(17(25)26)56282h34712H56H212H3(H2526)b1413
MFCD02240131
ZINC000002414106
ZINC000002414108
Check stock
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Check stock on Vitas-MAvailable files
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