Vitas-M small molecule compound
2-[(5E)-5-(3-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid
Catalog ID
STL035751
SMILES OC(=O)CC(N1C(=S)S/C(=C/c2cccc(c2)Br)/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 C14H10BrNO5S2 MW 416.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10BrNO5S2/c15-8-3-1-2-7(4-8)5-10-12(19)16(14(22)23-10)9(13(20)21)6-11(17)18/h1-5,9H,6H2,(H,17,18)(H,20,21)/b10-5+InChIKey
NMJSKRGHXFRERG-BJMVGYQFSA-NSynonyms
2((5E)5((3bromophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)butanedioicacid
2((5E)5(3bromobenzylidene)4oxo2thioxo13thiazolidin3yl)butanedioicacid
C1=CC(=CC(=C1)Br)C=C2C(=O)N(C(=S)S2)C(CC(=O)O)C(=O)O
InChI=1SC14H10BrNO5S2c1583127(48)51012(19)16(14(22)2310)9(13(20)21)611(17)18h159H6H2(H1718)(H2021)b105+
MFCD18192142
OC(=O)CC(N1C(=S)SC(=Cc2cccc(c2)Br)C1=O)C(=O)O
ZINC000032707993
ZINC000032707996
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