Vitas-M small molecule compound
2-{2-bromo-6-methoxy-4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}-N-[3-(methylsulfanyl)phenyl]acetamide
Catalog ID
STL419299
SMILES CSc1cccc(c1)NC(=O)COc1c(Br)cc(cc1OC)/C=C\1/SC(=S)NC1=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 C20H17BrN2O4S3 MW 525.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O4S3/c1-26-15-7-11(8-16-19(25)23-20(28)30-16)6-14(21)18(15)27-10-17(24)22-12-4-3-5-13(9-12)29-2/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25,28)/b16-8+InChIKey
NTIVWXNTRMDRIB-LZYBPNLTSA-NSynonyms
2(2bromo6methoxy4((E)(4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenoxy)N(3methylsulfanylphenyl)acetamide
2(2bromo6methoxy4((E)(4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)N(3(methylsulfanyl)phenyl)acetamide
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)S2)Br)OCC(=O)NC3=CC(=CC=C3)SC
CSc1cccc(c1)NC(=O)COc1c(Br)cc(cc1OC)C=C1SC(=S)NC1=O
InChI=1SC20H17BrN2O4S3c12615711(81619(25)2320(28)3016)614(21)18(15)271017(24)221243513(912)292h39H10H212H3(H2224)(H232528)b168+
MFCD04085755
ZINC000101093433
ZINC101093433
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