Vitas-M small molecule compound
(5E)-3-(4-ethoxyphenyl)-5-[3-nitro-4-(piperidin-1-yl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL370012
SMILES CCOc1ccc(cc1)N1C(=S)S/C(=C/c2ccc(c(c2)[N+](=O)[O-])N2CCCCC2)/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 C23H23N3O4S2 MW 469.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O4S2/c1-2-30-18-9-7-17(8-10-18)25-22(27)21(32-23(25)31)15-16-6-11-19(20(14-16)26(28)29)24-12-4-3-5-13-24/h6-11,14-15H,2-5,12-13H2,1H3/b21-15+InChIKey
ROENNGPLKPGNLY-RCCKNPSSSA-NSynonyms
(5E)3(4ETHOXYPHENYL)5((3NITRO4PIPERIDIN1YLPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)3(4ethoxyphenyl)5(3nitro4(piperidin1yl)benzylidene)2thioxo13thiazolidin4one
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)N4CCCCC4)(N+)(=O)(O))SC2=S
CCOc1ccc(cc1)N1C(=S)SC(=Cc2ccc(c(c2)(N+)(=O)(O))N2CCCCC2)C1=O
InChI=1SC23H23N3O4S2c1230189717(81018)2522(27)21(3223(25)31)151661119(20(1416)26(28)29)24124351324h6111415H251213H21H3b2115+
MFCD03905959
ZINC000005949103
ZINC05949103
ZINC5949103
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