Vitas-M small molecule compound

(5Z)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylidene}-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione

Catalog ID
STK050181
SMILES COc1ccc(cc1)n1cccc1/C=C/1\SC(=O)N(C1=O)Cc1cccc(c1)[N+](=O)[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 C22H17N3O5S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O5S/c1-30-19-9-7-16(8-10-19)23-11-3-6-17(23)13-20-21(26)24(22(27)31-20)14-15-4-2-5-18(12-15)25(28)29/h2-13H,14H2,1H3/b20-13-
InChIKey
DJTYDQJIFQNPOI-MOSHPQCFSA-N
Synonyms

(5Z)5((1(4METHOXYPHENYL)1HPYRROL2YL)METHYLIDENE)3(3NITROBENZYL)13THIAZOLIDINE24DIONE
(5Z)5((1(4METHOXYPHENYL)PYRROL2YL)METHYLIDENE)3((3NITROPHENYL)METHYL)13THIAZOLIDINE24DIONE
COC1=CC=C(C=C1)N2C=CC=C2C=C3C(=O)N(C(=O)S3)CC4=CC(=CC=C4)(N+)(=O)(O)
COc1ccc(cc1)n1cccc1C=C1SC(=O)N(C1=O)Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC22H17N3O5Sc130199716(81019)23113617(23)132021(26)24(22(27)3120)141542518(1215)25(28)29h213H14H21H3b2013
MFCD03226929
STK050181
ZINC000001151363
ZINC01151363
ZINC1151363

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Available files

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