Vitas-M small molecule compound

(5E)-3-(1,3-benzodioxol-5-ylmethyl)-5-(2-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK877689
SMILES S=C1S/C(=C/c2ccccc2[N+](=O)[O-])/C(=O)N1Cc1ccc2c(c1)OCO2

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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 C18H12N2O5S2 MW 400.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N2O5S2/c21-17-16(8-12-3-1-2-4-13(12)20(22)23)27-18(26)19(17)9-11-5-6-14-15(7-11)25-10-24-14/h1-8H,9-10H2/b16-8+
InChIKey
NSUIEQHVTFBUAR-LZYBPNLTSA-N
Synonyms

(5E)3(13BENZODIOXOL5YLMETHYL)5((2NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)3(13benzodioxol5ylmethyl)5(2nitrobenzylidene)2thioxo13thiazolidin4one
C1OC2=C(O1)C=C(C=C2)CN3C(=O)C(=CC4=CC=CC=C4(N+)(=O)(O))SC3=S
InChI=1SC18H12N2O5S2c211716(812312413(12)20(22)23)2718(26)19(17)911561415(711)25102414h18H910H2b168+
MFCD18170244
S=C1SC(=Cc2ccccc2(N+)(=O)(O))C(=O)N1Cc1ccc2c(c1)OCO2
ZINC000001160512
ZINC01160512
ZINC1160512

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Available files

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