Vitas-M small molecule compound
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL418533
SMILES S=C1S/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1c1ccc(cc1)[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 C17H10N2O5S2 MW 386.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H10N2O5S2/c20-16-15(8-10-1-6-13-14(7-10)24-9-23-13)26-17(25)18(16)11-2-4-12(5-3-11)19(21)22/h1-8H,9H2/b15-8-InChIKey
KIOCLPDBZDWHPK-NVNXTCNLSA-NSynonyms
(5Z)5(13BENZODIOXOL5YLMETHYLIDENE)3(4NITROPHENYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(13benzodioxol5ylmethylidene)3(4nitrophenyl)2thioxo13thiazolidin4one
5(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)3(4NITROPHENYL)2THIOXO13THIAZOLIDIN4ONE
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC17H10N2O5S2c201615(810161314(710)2492313)2617(25)18(16)112412(5311)19(21)22h18H9H2b158
MFCD01151138
S=C1SC(=Cc2ccc3c(c2)OCO3)C(=O)N1c1ccc(cc1)(N+)(=O)(O)
ZINC000005172469
ZINC05172469
ZINC5172469
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