Vitas-M small molecule compound
(5Z)-3-ethyl-5-{2-[(2-methylbenzyl)oxy]-5-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK385707
SMILES CCN1C(=S)S/C(=C\c2cc(ccc2OCc2ccccc2C)[N+](=O)[O-])/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 C20H18N2O4S2 MW 414.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O4S2/c1-3-21-19(23)18(28-20(21)27)11-15-10-16(22(24)25)8-9-17(15)26-12-14-7-5-4-6-13(14)2/h4-11H,3,12H2,1-2H3/b18-11-InChIKey
LOMOYWHRYRZNEU-WQRHYEAKSA-NSynonyms
(5Z)3ETHYL5((2((2METHYLPHENYL)METHOXY)5NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3ETHYL5(2((2METHYLBENZYL)OXY)5NITROBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CCN1C(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))OCC3=CC=CC=C3C)SC1=S
CCN1C(=S)SC(=Cc2cc(ccc2OCc2ccccc2C)(N+)(=O)(O))C1=O
InChI=1SC20H18N2O4S2c132119(23)18(2820(21)27)11151016(22(24)25)8917(15)261214754613(14)2h411H312H212H3b1811
MFCD03184400
ZINC000001183518
ZINC01183518
ZINC1183518
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