Vitas-M small molecule compound
(5Z)-5-[2-methyl-4-(pyrrolidin-1-yl)benzylidene]-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK157455
SMILES O=C1S/C(=C\c2ccc(cc2C)N2CCCC2)/C(=O)N1Cc1cccc(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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-15-11-18(23-9-2-3-10-23)8-7-17(15)13-20-21(26)24(22(27)30-20)14-16-5-4-6-19(12-16)25(28)29/h4-8,11-13H,2-3,9-10,14H2,1H3/b20-13-InChIKey
UFZGTOSGPPHLHM-MOSHPQCFSA-NSynonyms
(5Z)5((2METHYL4PYRROLIDIN1YLPHENYL)METHYLIDENE)3((3NITROPHENYL)METHYL)13THIAZOLIDINE24DIONE
(5Z)5(2METHYL4(PYRROLIDIN1YL)BENZYLIDENE)3(3NITROBENZYL)13THIAZOLIDINE24DIONE
CC1=C(C=CC(=C1)N2CCCC2)C=C3C(=O)N(C(=O)S3)CC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC22H21N3O4Sc1151118(239231023)8717(15)132021(26)24(22(27)3020)141654619(1216)25(28)29h481113H2391014H21H3b2013
MFCD03705847
O=C1SC(=Cc2ccc(cc2C)N2CCCC2)C(=O)N1Cc1cccc(c1)(N+)(=O)(O)
ZINC000001146818
ZINC01146818
ZINC1146818
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