Vitas-M small molecule compound
(5E)-5-{3-methoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL427796
SMILES C=CCN1C(=S)S/C(=C/c2ccc(c(c2)OC)OCc2ccccc2[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 C21H18N2O5S2 MW 442.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S2/c1-3-10-22-20(24)19(30-21(22)29)12-14-8-9-17(18(11-14)27-2)28-13-15-6-4-5-7-16(15)23(25)26/h3-9,11-12H,1,10,13H2,2H3/b19-12+InChIKey
KKPALCADOWYMCA-XDHOZWIPSA-NSynonyms
(5E)5((3methoxy4((2nitrophenyl)methoxy)phenyl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
(5E)5(3methoxy4((2nitrobenzyl)oxy)benzylidene)3(prop2en1yl)2thioxo13thiazolidin4one
3ALLYL5(4((2NITROBENZYL)OXY)3METHOXYBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2ccc(c(c2)OC)OCc2ccccc2(N+)(=O)(O))C1=O
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OCC3=CC=CC=C3(N+)(=O)(O)
InChI=1SC21H18N2O5S2c13102220(24)19(3021(22)29)12148917(18(1114)272)281315645716(15)23(25)26h391112H11013H22H3b1912+
MFCD00615697
ZINC000000974715
ZINC00974715
ZINC974715
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