Vitas-M small molecule compound

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

Catalog ID
STK157451
SMILES Oc1ccc(cc1)n1c(C)cc(c1C)/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 C23H19N3O5S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5S/c1-14-10-17(15(2)25(14)18-6-8-20(27)9-7-18)12-21-22(28)24(23(29)32-21)13-16-4-3-5-19(11-16)26(30)31/h3-12,27H,13H2,1-2H3/b21-12-
InChIKey
CMGTUOUHEXERBS-MTJSOVHGSA-N
Synonyms

(5Z)5((1(4HYDROXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)3(3NITROBENZYL)13THIAZOLIDINE24DIONE
(5Z)5((1(4HYDROXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)3((3NITROPHENYL)METHYL)13THIAZOLIDINE24DIONE
CC1=CC(=C(N1C2=CC=C(C=C2)O)C)C=C3C(=O)N(C(=O)S3)CC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC23H19N3O5Sc1141017(15(2)25(14)186820(27)9718)122122(28)24(23(29)3221)131643519(1116)26(30)31h31227H13H212H3b2112
MFCD03729709
Oc1ccc(cc1)n1c(C)cc(c1C)C=C1SC(=O)N(C1=O)Cc1cccc(c1)(N+)(=O)(O)
ZINC000001147215
ZINC01147215
ZINC1147215

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Available files

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