Vitas-M small molecule compound
(5E)-3-cyclohexyl-5-(2-methoxy-5-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL428243
SMILES COc1ccc(cc1/C=C\1/SC(=S)N(C1=O)C1CCCCC1)[N+](=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 C17H18N2O4S2 MW 378.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O4S2/c1-23-14-8-7-13(19(21)22)9-11(14)10-15-16(20)18(17(24)25-15)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3/b15-10+InChIKey
ABMSBMIEMBTDEY-XNTDXEJSSA-NSynonyms
(5E)3CYCLOHEXYL5((2METHOXY5NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)3cyclohexyl5(2methoxy5nitrobenzylidene)2thioxo13thiazolidin4one
COC1=C(C=C(C=C1)(N+)(=O)(O))C=C2C(=O)N(C(=S)S2)C3CCCCC3
InChI=1SC17H18N2O4S2c123148713(19(21)22)911(14)101516(20)18(17(24)2515)125324612h71012H26H21H3b1510+
MFCD04083195
ZINC000015011844
ZINC15011844
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