Vitas-M small molecule compound
(5Z)-3-(2-cyclopentylethyl)-5-(3-ethoxy-2-hydroxy-5-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL368840
SMILES CCOc1cc(cc(c1O)/C=C/1\SC(=S)N(C1=O)CCC1CCCC1)[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 C19H22N2O5S2 MW 422.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O5S2/c1-2-26-15-11-14(21(24)25)9-13(17(15)22)10-16-18(23)20(19(27)28-16)8-7-12-5-3-4-6-12/h9-12,22H,2-8H2,1H3/b16-10-InChIKey
ITWPPNUYLYVVFW-YBEGLDIGSA-NSynonyms
(5Z)3(2CYCLOPENTYLETHYL)5((3ETHOXY2HYDROXY5NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3(2cyclopentylethyl)5(3ethoxy2hydroxy5nitrobenzylidene)2thioxo13thiazolidin4one
CCOC1=C(C(=CC(=C1)(N+)(=O)(O))C=C2C(=O)N(C(=S)S2)CCC3CCCC3)O
CCOc1cc(cc(c1O)C=C1SC(=S)N(C1=O)CCC1CCCC1)(N+)(=O)(O)
InChI=1SC19H22N2O5S2c1226151114(21(24)25)913(17(15)22)101618(23)20(19(27)2816)8712534612h91222H28H21H3b1610
MFCD03714950
ZINC000015011111
ZINC15011111
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