Vitas-M small molecule compound
(5Z)-5-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-3-(2-methylpropyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL369593
SMILES COc1cc(/C=C/2\SC(=S)N(C2=O)CC(C)C)cc(c1OCc1ccc(cc1)[N+](=O)[O-])Cl
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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 C22H21ClN2O5S2 MW 493.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O5S2/c1-13(2)11-24-21(26)19(32-22(24)31)10-15-8-17(23)20(18(9-15)29-3)30-12-14-4-6-16(7-5-14)25(27)28/h4-10,13H,11-12H2,1-3H3/b19-10-InChIKey
RIQJXTJWNCLVOS-GRSHGNNSSA-NSynonyms
(5Z)5((3CHLORO5METHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)3(2METHYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(3chloro5methoxy4((4nitrobenzyl)oxy)benzylidene)3(2methylpropyl)2thioxo13thiazolidin4one
CC(C)CN1C(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC3=CC=C(C=C3)(N+)(=O)(O))OC)SC1=S
COc1cc(C=C2SC(=S)N(C2=O)CC(C)C)cc(c1OCc1ccc(cc1)(N+)(=O)(O))Cl
InChI=1SC22H21ClN2O5S2c113(2)112421(26)19(3222(24)31)1015817(23)20(18(915)293)3012144616(7514)25(27)28h41013H1112H213H3b1910
MFCD03716310
ZINC000002819430
ZINC02819430
ZINC2819430
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