Vitas-M small molecule compound
(5E)-3-(3,4-dimethylphenyl)-5-{3-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL419101
SMILES COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)c1ccc(c(c1)C)C
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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 C26H22N2O5S2 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O5S2/c1-16-4-8-21(12-17(16)2)27-25(29)24(35-26(27)34)14-19-7-11-22(23(13-19)32-3)33-15-18-5-9-20(10-6-18)28(30)31/h4-14H,15H2,1-3H3/b24-14+InChIKey
SROWWWYRFYKLBP-ZVHZXABRSA-NSynonyms
(5E)3(34DIMETHYLPHENYL)5((3METHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)3(34dimethylphenyl)5(3methoxy4((4nitrobenzyl)oxy)benzylidene)2thioxo13thiazolidin4one
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)(N+)(=O)(O))OC)SC2=S)C
COc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=C1SC(=S)N(C1=O)c1ccc(c(c1)C)C
InChI=1SC26H22N2O5S2c1164821(1217(16)2)2725(29)24(3526(27)34)141971122(23(1319)323)3315185920(10618)28(30)31h414H15H213H3b2414+
MFCD03614112
ZINC000009187048
ZINC09187048
ZINC9187048
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