Vitas-M small molecule compound
(5E)-3-(3-nitrobenzyl)-5-{[1-(prop-2-en-1-yl)-1H-indol-3-yl]methylidene}-1,3-thiazolidine-2,4-dione
Catalog ID
STK381920
SMILES C=CCn1cc(c2c1cccc2)/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 C22H17N3O4S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4S/c1-2-10-23-14-16(18-8-3-4-9-19(18)23)12-20-21(26)24(22(27)30-20)13-15-6-5-7-17(11-15)25(28)29/h2-9,11-12,14H,1,10,13H2/b20-12+InChIKey
XYGOPISCRVKSHS-UDWIEESQSA-NSynonyms
(5E)3((3nitrophenyl)methyl)5((1prop2enylindol3yl)methylidene)13thiazolidine24dione
(5E)3(3nitrobenzyl)5((1(prop2en1yl)1Hindol3yl)methylidene)13thiazolidine24dione
3((3NITROPHENYL)METHYL)5((1PROP2ENYLINDOL3YL)METHYLENE)13THIAZOLIDINE24DIONE
C=CCN1C=C(C2=CC=CC=C21)C=C3C(=O)N(C(=O)S3)CC4=CC(=CC=C4)(N+)(=O)(O)
C=CCn1cc(c2c1cccc2)C=C1SC(=O)N(C1=O)Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC22H17N3O4Sc1210231416(18834919(18)23)122021(26)24(22(27)3020)131565717(1115)25(28)29h29111214H11013H2b2012+
MFCD03649498
ZINC000004092045
ZINC04092045
ZINC4092045
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