Vitas-M small molecule compound

N-[(5Z)-5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-nitrobenzamide

Catalog ID
STK550664
SMILES COc1c(cccc1OC)/C=C/1\SC(=S)N(C1=O)NC(=O)c1ccccc1[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 C19H15N3O6S2 MW 445.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O6S2/c1-27-14-9-5-6-11(16(14)28-2)10-15-18(24)21(19(29)30-15)20-17(23)12-7-3-4-8-13(12)22(25)26/h3-10H,1-2H3,(H,20,23)/b15-10-
InChIKey
HWYBVFXNFVJJHL-GDNBJRDFSA-N
Synonyms
671761-34-5
(Z)N(5(23dimethoxybenzylidene)4oxo2thioxothiazolidin3yl)2nitrobenzamide
671761345
COC1=CC=CC(=C1OC)C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3(N+)(=O)(O)
COc1c(cccc1OC)C=C1SC(=S)N(C1=O)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC19H15N3O6S2c1271495611(16(14)282)101518(24)21(19(29)3015)2017(23)12734813(12)22(25)26h310H12H3(H2023)b1510
MFCD03691941
N((5Z)5((23DIMETHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)2NITROBENZAMIDE
N((5Z)5(23dimethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)2nitrobenzamide
ZINC000013714060
ZINC13714060

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.