Vitas-M small molecule compound
(5E)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL035836
SMILES CN1CCN(CC1)C(=O)CN1C(=S)S/C(=C/C(=C/c2ccccc2)/C)/C1=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 C20H23N3O2S2 MW 401.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O2S2/c1-15(12-16-6-4-3-5-7-16)13-17-19(25)23(20(26)27-17)14-18(24)22-10-8-21(2)9-11-22/h3-7,12-13H,8-11,14H2,1-2H3/b15-12+,17-13+InChIKey
DWIBCILMTUOJPL-KDOCSACZSA-NSynonyms
(5E)5((2E)2methyl3phenylprop2en1ylidene)3(2(4methylpiperazin1yl)2oxoethyl)2thioxo13thiazolidin4one
(5E)5((E)2METHYL3PHENYLPROP2ENYLIDENE)3(2(4METHYLPIPERAZIN1YL)2OXOETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CC(=O)N3CCN(CC3)C
CN1CCN(CC1)C(=O)CN1C(=S)SC(=CC(=Cc2ccccc2)C)C1=O
InChI=1SC20H23N3O2S2c115(12166435716)131719(25)23(20(26)2717)1418(24)2210821(2)91122h371213H81114H212H3b1512+1713+
MFCD18192170
ZINC000027530475
ZINC27530475
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