Vitas-M small molecule compound
(5Z)-5-{4-[(4-bromobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)benzylidene}-3-(4-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STL372076
SMILES CCOc1cc(/C=C/2\SC(=O)N(C2=O)Cc2ccc(cc2)[N+](=O)[O-])cc(c1OCc1ccc(cc1)Br)CC=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 C29H25BrN2O6S MW 609.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25BrN2O6S/c1-3-5-22-14-21(15-25(37-4-2)27(22)38-18-20-6-10-23(30)11-7-20)16-26-28(33)31(29(34)39-26)17-19-8-12-24(13-9-19)32(35)36/h3,6-16H,1,4-5,17-18H2,2H3/b26-16-InChIKey
XDBWKDUTRLZKNC-QQXSKIMKSA-NSynonyms
(5Z)5((4((4BROMOPHENYL)METHOXY)3ETHOXY5PROP2ENYLPHENYL)METHYLIDENE)3((4NITROPHENYL)METHYL)13THIAZOLIDINE24DIONE
(5Z)5(4((4bromobenzyl)oxy)3ethoxy5(prop2en1yl)benzylidene)3(4nitrobenzyl)13thiazolidine24dione
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Br)CC=C)C=C3C(=O)N(C(=O)S3)CC4=CC=C(C=C4)(N+)(=O)(O)
CCOc1cc(C=C2SC(=O)N(C2=O)Cc2ccc(cc2)(N+)(=O)(O))cc(c1OCc1ccc(cc1)Br)CC=C
InChI=1SC29H25BrN2O6Sc135221421(1525(3742)27(22)38182061023(30)11720)162628(33)31(29(34)3926)171981224(13919)32(35)36h3616H1451718H22H3b2616
MFCD07084928
ZINC000105393999
ZINC105393999
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