Vitas-M small molecule compound
2-{(5E)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanoic acid
Catalog ID
STK995185
SMILES CCCC(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 C18H19NO3S2 MW 361.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO3S2/c1-3-7-14(17(21)22)19-16(20)15(24-18(19)23)11-12(2)10-13-8-5-4-6-9-13/h4-6,8-11,14H,3,7H2,1-2H3,(H,21,22)/b12-10+,15-11+InChIKey
GNLLQOWZFQSKHC-NZWDAJRTSA-NSynonyms
2((5E)5((2E)2methyl3phenylprop2en1ylidene)4oxo2thioxo13thiazolidin3yl)pentanoicacid
2((5E)5((E)2METHYL3PHENYLPROP2ENYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PENTANOICACID
2((Z)5((E)2methyl3phenylallylidene)4oxo2thioxothiazolidin3yl)pentanoicacid
CCCC(C(=O)O)N1C(=O)C(=CC(=CC2=CC=CC=C2)C)SC1=S
CCCC(N1C(=S)SC(=CC(=Cc2ccccc2)C)C1=O)C(=O)O
InChI=1SC18H19NO3S2c13714(17(21)22)1916(20)15(2418(19)23)1112(2)10138546913h4681114H37H212H3(H2122)b1210+1511+
MFCD18185134
ZINC000027229166
ZINC000027229171
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