Vitas-M small molecule compound
(5Z)-3-benzyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK070986
SMILES COc1cc(/C=C/2\SC(=S)N(C2=O)Cc2ccccc2)cc(c1O)[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 C18H14N2O5S2 MW 402.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O5S2/c1-25-14-8-12(7-13(16(14)21)20(23)24)9-15-17(22)19(18(26)27-15)10-11-5-3-2-4-6-11/h2-9,21H,10H2,1H3/b15-9-InChIKey
NCGDYMXELPWCLV-DHDCSXOGSA-NSynonyms
(5Z)3BENZYL5((4HYDROXY3METHOXY5NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3BENZYL5(4HYDROXY3METHOXY5NITROBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
COC1=CC(=CC(=C1O)(N+)(=O)(O))C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3
COc1cc(C=C2SC(=S)N(C2=O)Cc2ccccc2)cc(c1O)(N+)(=O)(O)
InChI=1SC18H14N2O5S2c12514812(713(16(14)21)20(23)24)91517(22)19(18(26)2715)10115324611h2921H10H21H3b159
MFCD01590462
STK070986
ZINC000013898609
ZINC13898609
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