Vitas-M small molecule compound

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

Catalog ID
STK994098
SMILES COc1cc(ccc1OC)/C=C\1/SC(=S)N(C1=O)NC(=O)c1cccc(c1)[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/c1-27-14-7-6-11(8-15(14)28-2)9-16-18(24)21(19(29)30-16)20-17(23)12-4-3-5-13(10-12)22(25)26/h3-10H,1-2H3,(H,20,23)/b16-9+
InChIKey
UXRCPRFZDYTSPT-CXUHLZMHSA-N
Synonyms

COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O))OC
COc1cc(ccc1OC)C=C1SC(=S)N(C1=O)NC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC19H15N3O6S2c127147611(815(14)282)91618(24)21(19(29)3016)2017(23)1243513(1012)22(25)26h310H12H3(H2023)b169+
MFCD18185048
N((5E)5((34DIMETHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)3NITROBENZAMIDE
N((5E)5(34dimethoxybenzylidene)4oxo2thioxo13thiazolidin3yl)3nitrobenzamide
ZINC000002899553
ZINC02899553
ZINC2899553

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Available files

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