Vitas-M small molecule compound

(5Z)-3-methyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK080163
SMILES S=C1S/C(=C\c2cc3OCOc3cc2[N+](=O)[O-])/C(=O)N1C

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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 C12H8N2O5S2 MW 324.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8N2O5S2/c1-13-11(15)10(21-12(13)20)3-6-2-8-9(19-5-18-8)4-7(6)14(16)17/h2-4H,5H2,1H3/b10-3-
InChIKey
GGVKJFWPSARSFS-KMKOMSMNSA-N
Synonyms

(5Z)3METHYL5((6NITRO13BENZODIOXOL5YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3METHYL5((6NITRO13BENZODIOXOL5YL)METHYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CN1C(=O)C(=CC2=CC3=C(C=C2(N+)(=O)(O))OCO3)SC1=S
InChI=1SC12H8N2O5S2c11311(15)10(2112(13)20)36289(195188)47(6)14(16)17h24H5H21H3b103
MFCD01230049
S=C1SC(=Cc2cc3OCOc3cc2(N+)(=O)(O))C(=O)N1C
STK080163
ZINC000000974909
ZINC00974909
ZINC974909

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Available files

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