Vitas-M small molecule compound
2-[(5E)-5-(3-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid
Catalog ID
STL035773
SMILES OC(=O)CCC(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 C15H12BrNO5S2 MW 430.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12BrNO5S2/c16-9-3-1-2-8(6-9)7-11-13(20)17(15(23)24-11)10(14(21)22)4-5-12(18)19/h1-3,6-7,10H,4-5H2,(H,18,19)(H,21,22)/b11-7+InChIKey
LTLVTBHLMZFTJT-YRNVUSSQSA-NSynonyms
2((5E)5((3bromophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)pentanedioicacid
2((5E)5(3bromobenzylidene)4oxo2thioxo13thiazolidin3yl)pentanedioicacid
C1=CC(=CC(=C1)Br)C=C2C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O
InChI=1SC15H12BrNO5S2c1693128(69)71113(20)17(15(23)2411)10(14(21)22)4512(18)19h136710H45H2(H1819)(H2122)b117+
MFCD18192155
OC(=O)CCC(N1C(=S)SC(=Cc2cccc(c2)Br)C1=O)C(=O)O
ZINC000003196537
ZINC000003196540
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