Vitas-M small molecule compound

(5E)-3-(4-methylbenzyl)-5-(4-nitrobenzylidene)-1,3-thiazolidine-2,4-dione

Catalog ID
STL357990
SMILES Cc1ccc(cc1)CN1C(=O)S/C(=C/c2ccc(cc2)[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 C18H14N2O4S MW 354.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N2O4S/c1-12-2-4-14(5-3-12)11-19-17(21)16(25-18(19)22)10-13-6-8-15(9-7-13)20(23)24/h2-10H,11H2,1H3/b16-10+
InChIKey
RWFFHTUVGRLIJK-MHWRWJLKSA-N
Synonyms

(5E)3((4METHYLPHENYL)METHYL)5((4NITROPHENYL)METHYLIDENE)13THIAZOLIDINE24DIONE
(5E)3(4methylbenzyl)5(4nitrobenzylidene)13thiazolidine24dione
CC1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=C(C=C3)(N+)(=O)(O))SC2=O
Cc1ccc(cc1)CN1C(=O)SC(=Cc2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC18H14N2O4Sc1122414(5312)111917(21)16(2518(19)22)10136815(9713)20(23)24h210H11H21H3b1610+
MFCD04085361
ZINC000006922830
ZINC06922830
ZINC6922830

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Available files

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