Vitas-M small molecule compound
(5Z)-5-{2-[2-(4-bromophenoxy)ethoxy]-5-nitrobenzylidene}-3-ethyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK051077
SMILES CCN1C(=S)S/C(=C\c2cc(ccc2OCCOc2ccc(cc2)Br)[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 C20H17BrN2O5S2 MW 509.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O5S2/c1-2-22-19(24)18(30-20(22)29)12-13-11-15(23(25)26)5-8-17(13)28-10-9-27-16-6-3-14(21)4-7-16/h3-8,11-12H,2,9-10H2,1H3/b18-12-InChIKey
OMMPNZGMJFPDOL-PDGQHHTCSA-NSynonyms
(5Z)5((2(2(4BROMOPHENOXY)ETHOXY)5NITROPHENYL)METHYLIDENE)3ETHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(2(2(4BROMOPHENOXY)ETHOXY)5NITROBENZYLIDENE)3ETHYL2THIOXO13THIAZOLIDIN4ONE
CCN1C(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))OCCOC3=CC=C(C=C3)Br)SC1=S
CCN1C(=S)SC(=Cc2cc(ccc2OCCOc2ccc(cc2)Br)(N+)(=O)(O))C1=O
InChI=1SC20H17BrN2O5S2c122219(24)18(3020(22)29)12131115(23(25)26)5817(13)2810927166314(21)4716h381112H2910H21H3b1812
MFCD02121979
STK051077
ZINC000002959517
ZINC02959517
ZINC2959517
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