Vitas-M small molecule compound
(5Z)-3-(3-nitrobenzyl)-5-{[1-(prop-2-yn-1-yl)-1H-indol-3-yl]methylidene}-1,3-thiazolidine-2,4-dione
Catalog ID
STK157469
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 C22H15N3O4S MW 417.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15N3O4S/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/h1,3-9,11-12,14H,10,13H2/b20-12-InChIKey
BMJHQKJEUZGXSU-NDENLUEZSA-NSynonyms
(5Z)3((3NITROPHENYL)METHYL)5((1PROP2YNYLINDOL3YL)METHYLIDENE)13THIAZOLIDINE24DIONE
(5Z)3(3NITROBENZYL)5((1(PROP2YN1YL)1HINDOL3YL)METHYLIDENE)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=1SC22H15N3O4Sc1210231416(18834919(18)23)122021(26)24(22(27)3020)131565717(1115)25(28)29h139111214H1013H2b2012
MFCD03729726
ZINC000001138193
ZINC01138193
ZINC1138193
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