Vitas-M small molecule compound

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

Catalog ID
STK157466
SMILES CCC(n1cc(c2c1cccc2)/C=C/1\SC(=O)N(C1=O)Cc1cccc(c1)[N+](=O)[O-])C

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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 C23H21N3O4S MW 435.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O4S/c1-3-15(2)24-14-17(19-9-4-5-10-20(19)24)12-21-22(27)25(23(28)31-21)13-16-7-6-8-18(11-16)26(29)30/h4-12,14-15H,3,13H2,1-2H3/b21-12-
InChIKey
QSDBPGIUBFPESC-MTJSOVHGSA-N
Synonyms

(5Z)5((1(BUTAN2YL)1HINDOL3YL)METHYLIDENE)3(3NITROBENZYL)13THIAZOLIDINE24DIONE
(5Z)5((1BUTAN2YLINDOL3YL)METHYLIDENE)3((3NITROPHENYL)METHYL)13THIAZOLIDINE24DIONE
CCC(C)N1C=C(C2=CC=CC=C21)C=C3C(=O)N(C(=O)S3)CC4=CC(=CC=C4)(N+)(=O)(O)
CCC(n1cc(c2c1cccc2)C=C1SC(=O)N(C1=O)Cc1cccc(c1)(N+)(=O)(O))C
InChI=1SC23H21N3O4Sc1315(2)241417(199451020(19)24)122122(27)25(23(28)3121)131676818(1116)26(29)30h4121415H313H212H3b2112
MFCD03729723
ZINC000001140003
ZINC000001140007

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Available files

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