Vitas-M small molecule compound

(5E)-5-[3-(2,4-dinitrophenoxy)benzylidene]-2-(phenylamino)-1,3-thiazol-4(5H)-one

Catalog ID
STL406807
SMILES O=C1N=C(S/C/1=C/c1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Nc1ccccc1

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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 C22H14N4O6S MW 462.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14N4O6S/c27-21-20(33-22(24-21)23-15-6-2-1-3-7-15)12-14-5-4-8-17(11-14)32-19-10-9-16(25(28)29)13-18(19)26(30)31/h1-13H,(H,23,24,27)/b20-12+
InChIKey
FATKCZVTVARWTH-UDWIEESQSA-N
Synonyms

(5E)2ANILINO5((3(24DINITROPHENOXY)PHENYL)METHYLIDENE)13THIAZOL4ONE
(5E)5(3(24dinitrophenoxy)benzylidene)2(phenylamino)13thiazol4(5H)one
5((3(24DINITROPHENOXY)PHENYL)METHYLENE)2(PHENYLAZAMETHYLENE)13THIAZOLIDIN4ONE
5(3(24DINITROPHENOXY)BENZYLIDENE)2PHENYLIMINOTHIAZOLIDIN4ONE
C1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC(=CC=C3)OC4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O))S2
InChI=1SC22H14N4O6Sc272120(3322(2421)23156213715)121454817(1114)321910916(25(28)29)1318(19)26(30)31h113H(H232427)b2012+
MFCD30704517
O=C1N=C(SC1=Cc1cccc(c1)Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))Nc1ccccc1
ZINC000015011726
ZINC15011726

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Available files

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