Vitas-M small molecule compound

(5E)-5-[4-(2,4-dinitrophenoxy)-3-methoxybenzylidene]-3-(propan-2-yl)-1,3-thiazolidine-2,4-dione

Catalog ID
STK178034
SMILES COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C\1/SC(=O)N(C1=O)C(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 C20H17N3O8S MW 459.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O8S/c1-11(2)21-19(24)18(32-20(21)25)9-12-4-6-16(17(8-12)30-3)31-15-7-5-13(22(26)27)10-14(15)23(28)29/h4-11H,1-3H3/b18-9+
InChIKey
DYKLYWBDBKCCFD-GIJQJNRQSA-N
Synonyms

(5E)5((4(24DINITROPHENOXY)3METHOXYPHENYL)METHYLIDENE)3PROPAN2YL13THIAZOLIDINE24DIONE
(5E)5(4(24DINITROPHENOXY)3METHOXYBENZYLIDENE)3(PROPAN2YL)13THIAZOLIDINE24DIONE
5((4(24DINITROPHENOXY)3METHOXYPHENYL)METHYLENE)3(METHYLETHYL)13THIAZOLIDINE24DIONE
CC(C)N1C(=O)C(=CC2=CC(=C(C=C2)OC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))OC)SC1=O
COc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C=C1SC(=O)N(C1=O)C(C)C
InChI=1SC20H17N3O8Sc111(2)2119(24)18(3220(21)25)9124616(17(812)303)31157513(22(26)27)1014(15)23(28)29h411H13H3b189+
MFCD03835367
ZINC000008875126
ZINC08875126
ZINC8875126

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Available files

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