Vitas-M small molecule compound
2-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-4-(methylsulfanyl)butanoic acid
Catalog ID
STK549970
SMILES CSCCC(N1C(=S)S/C(=C\C(=C\c2ccccc2)\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 C18H19NO3S3 MW 393.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO3S3/c1-12(10-13-6-4-3-5-7-13)11-15-16(20)19(18(23)25-15)14(17(21)22)8-9-24-2/h3-7,10-11,14H,8-9H2,1-2H3,(H,21,22)/b12-10+,15-11-InChIKey
SQXQQDPJICIETD-NJFTWXLASA-NSynonyms
2((5Z)5((2E)2methyl3phenylprop2en1ylidene)4oxo2thioxo13thiazolidin3yl)4(methylsulfanyl)butanoicacid
2((5Z)5((E)2METHYL3PHENYLPROP2ENYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)4METHYLSULFANYLBUTANOICACID
2((Z)5((E)2methyl3phenylallylidene)4oxo2thioxothiazolidin3yl)4(methylthio)butanoicacid
CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)C(CCSC)C(=O)O
CSCCC(N1C(=S)SC(=CC(=Cc2ccccc2)C)C1=O)C(=O)O
InChI=1SC18H19NO3S3c112(10136435713)111516(20)19(18(23)2515)14(17(21)22)89242h37101114H89H212H3(H2122)b1210+1511
MFCD03676055
ZINC000005024765
ZINC000005024766
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