Vitas-M small molecule compound

(5E)-5-[4-(butan-2-yloxy)-3-methoxybenzylidene]-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione

Catalog ID
STK152690
SMILES CCC(Oc1ccc(cc1OC)/C=C\1/SC(=O)N(C1=O)Cc1cccc(c1)[N+](=O)[O-])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 C22H22N2O6S MW 442.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6S/c1-4-14(2)30-18-9-8-15(11-19(18)29-3)12-20-21(25)23(22(26)31-20)13-16-6-5-7-17(10-16)24(27)28/h5-12,14H,4,13H2,1-3H3/b20-12+
InChIKey
GUVHKBVSKDCQQO-UDWIEESQSA-N
Synonyms

(5E)5((4butan2yloxy3methoxyphenyl)methylidene)3((3nitrophenyl)methyl)13thiazolidine24dione
(5E)5(4(BUTAN2YLOXY)3METHOXYBENZYLIDENE)3(3NITROBENZYL)13THIAZOLIDINE24DIONE
5((3METHOXY4(METHYLPROPOXY)PHENYL)METHYLENE)3((3NITROPHENYL)METHYL)13THIAZOLIDINE24DIONE
CCC(C)OC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)(N+)(=O)(O))OC
CCC(Oc1ccc(cc1OC)C=C1SC(=O)N(C1=O)Cc1cccc(c1)(N+)(=O)(O))C
InChI=1SC22H22N2O6Sc1414(2)30189815(1119(18)293)122021(25)23(22(26)3120)131665717(1016)24(27)28h51214H413H213H3b2012+
MFCD03649514
ZINC000001417362
ZINC000001417364

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Available files

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