Vitas-M small molecule compound
(5Z)-5-[2-(benzyloxy)-5-nitrobenzylidene]-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK076005
SMILES C=CCN1C(=S)S/C(=C\c2cc(ccc2OCc2ccccc2)[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 C20H16N2O4S2 MW 412.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O4S2/c1-2-10-21-19(23)18(28-20(21)27)12-15-11-16(22(24)25)8-9-17(15)26-13-14-6-4-3-5-7-14/h2-9,11-12H,1,10,13H2/b18-12-InChIKey
DQXAYYNJHALGIY-PDGQHHTCSA-NSynonyms
(5Z)5((5NITRO2PHENYLMETHOXYPHENYL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(2(BENZYLOXY)5NITROBENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))OCC3=CC=CC=C3)SC1=S
C=CCN1C(=S)SC(=Cc2cc(ccc2OCc2ccccc2)(N+)(=O)(O))C1=O
InChI=1SC20H16N2O4S2c12102119(23)18(2820(21)27)12151116(22(24)25)8917(15)2613146435714h291112H11013H2b1812
MFCD03183509
STK076005
ZINC000001181007
ZINC01181007
ZINC1181007
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