Vitas-M small molecule compound

ethyl {(5Z)-5-[4-(2,4-dinitrophenoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate

Catalog ID
STK157131
SMILES CCOC(=O)CN1C(=O)S/C(=C\c2ccc(cc2)Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/C1=O

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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 C20H15N3O9S MW 473.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O9S/c1-2-31-18(24)11-21-19(25)17(33-20(21)26)9-12-3-6-14(7-4-12)32-16-8-5-13(22(27)28)10-15(16)23(29)30/h3-10H,2,11H2,1H3/b17-9-
InChIKey
GROJLYYOSPQXLY-MFOYZWKCSA-N
Synonyms

CCOC(=O)CN1C(=O)C(=CC2=CC=C(C=C2)OC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))SC1=O
CCOC(=O)CN1C(=O)SC(=Cc2ccc(cc2)Oc2ccc(cc2(N+)(=O)(O))(N+)(=O)(O))C1=O
ETHYL((5Z)5(4(24DINITROPHENOXY)BENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
ETHYL2((5Z)5((4(24DINITROPHENOXY)PHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
InChI=1SC20H15N3O9Sc123118(24)112119(25)17(3320(21)26)9123614(7412)32168513(22(27)28)1015(16)23(29)30h310H211H21H3b179
MFCD03226953
ZINC000002080748
ZINC02080748
ZINC2080748

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.