Vitas-M small molecule compound
(5Z)-3-benzyl-5-{3-methoxy-4-[(2-nitrobenzyl)oxy]benzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL372045
SMILES COc1cc(ccc1OCc1ccccc1[N+](=O)[O-])/C=C/1\SC(=S)N(C1=O)Cc1ccccc1
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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 C25H20N2O5S2 MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O5S2/c1-31-22-13-18(11-12-21(22)32-16-19-9-5-6-10-20(19)27(29)30)14-23-24(28)26(25(33)34-23)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3/b23-14-InChIKey
NIXVAETWIAIJNM-UCQKPKSFSA-NSynonyms
(5Z)3BENZYL5((3METHOXY4((2NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3benzyl5(3methoxy4((2nitrobenzyl)oxy)benzylidene)2thioxo13thiazolidin4one
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)OCC4=CC=CC=C4(N+)(=O)(O)
COc1cc(ccc1OCc1ccccc1(N+)(=O)(O))C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC25H20N2O5S2c131221318(111221(22)3216199561020(19)27(29)30)142324(28)26(25(33)3423)15177324817h214H1516H21H3b2314
MFCD03708906
ZINC000016192901
ZINC16192901
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