Vitas-M small molecule compound
(5Z)-3-(2-chlorobenzyl)-5-[4-(morpholin-4-yl)-3-nitrobenzylidene]-1,3-thiazolidine-2,4-dione
Catalog ID
STK123536
SMILES O=C1S/C(=C\c2ccc(c(c2)[N+](=O)[O-])N2CCOCC2)/C(=O)N1Cc1ccccc1Cl
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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 C21H18ClN3O5S MW 459.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O5S/c22-16-4-2-1-3-15(16)13-24-20(26)19(31-21(24)27)12-14-5-6-17(18(11-14)25(28)29)23-7-9-30-10-8-23/h1-6,11-12H,7-10,13H2/b19-12-InChIKey
BLRZTROVNKGRKR-UNOMPAQXSA-NSynonyms
(5Z)3((2chlorophenyl)methyl)5((4morpholin4yl3nitrophenyl)methylidene)13thiazolidine24dione
(5Z)3(2CHLOROBENZYL)5(4(MORPHOLIN4YL)3NITROBENZYLIDENE)13THIAZOLIDINE24DIONE
C1COCCN1C2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl)(N+)(=O)(O)
InChI=1SC21H18ClN3O5Sc2216421315(16)132420(26)19(3121(24)27)12145617(18(1114)25(28)29)23793010823h161112H71013H2b1912
MFCD04128887
O=C1SC(=Cc2ccc(c(c2)(N+)(=O)(O))N2CCOCC2)C(=O)N1Cc1ccccc1Cl
ZINC000009805896
ZINC09805896
ZINC9805896
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