Vitas-M small molecule compound
(5Z)-5-{2-[2-(2-methoxyphenoxy)ethoxy]-5-nitrobenzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK062125
SMILES C=CCN1C(=S)S/C(=C\c2cc(ccc2OCCOc2ccccc2OC)[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 C22H20N2O6S2 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6S2/c1-3-10-23-21(25)20(32-22(23)31)14-15-13-16(24(26)27)8-9-17(15)29-11-12-30-19-7-5-4-6-18(19)28-2/h3-9,13-14H,1,10-12H2,2H3/b20-14-InChIKey
TUEPWTPQKCDOGF-ZHZULCJRSA-NSynonyms
(5Z)5((2(2(2METHOXYPHENOXY)ETHOXY)5NITROPHENYL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(2(2(2METHOXYPHENOXY)ETHOXY)5NITROBENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2cc(ccc2OCCOc2ccccc2OC)(N+)(=O)(O))C1=O
COC1=CC=CC=C1OCCOC2=C(C=C(C=C2)(N+)(=O)(O))C=C3C(=O)N(C(=S)S3)CC=C
InChI=1SC22H20N2O6S2c13102321(25)20(3222(23)31)14151316(24(26)27)8917(15)2911123019754618(19)282h391314H11012H22H3b2014
MFCD03227450
STK062125
ZINC000009553627
ZINC09553627
ZINC9553627
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