Vitas-M small molecule compound
(5Z)-5-{4-[(4-bromobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)benzylidene}-3-(2-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STL378983
SMILES CCOc1cc(/C=C/2\SC(=O)N(C2=O)Cc2ccccc2[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/c1-3-7-21-14-20(15-25(37-4-2)27(21)38-18-19-10-12-23(30)13-11-19)16-26-28(33)31(29(34)39-26)17-22-8-5-6-9-24(22)32(35)36/h3,5-6,8-16H,1,4,7,17-18H2,2H3/b26-16-InChIKey
SPAFYVFPVMFIBJ-QQXSKIMKSA-NSynonyms
(5Z)5((4((4bromophenyl)methoxy)3ethoxy5prop2enylphenyl)methylidene)3((2nitrophenyl)methyl)13thiazolidine24dione
(5Z)5(4((4bromobenzyl)oxy)3ethoxy5(prop2en1yl)benzylidene)3(2nitrobenzyl)13thiazolidine24dione
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Br)CC=C)C=C3C(=O)N(C(=O)S3)CC4=CC=CC=C4(N+)(=O)(O)
CCOc1cc(C=C2SC(=O)N(C2=O)Cc2ccccc2(N+)(=O)(O))cc(c1OCc1ccc(cc1)Br)CC=C
InChI=1SC29H25BrN2O6Sc137211420(1525(3742)27(21)381819101223(30)131119)162628(33)31(29(34)3926)1722856924(22)32(35)36h356816H1471718H22H3b2616
MFCD28951011
ZINC000105403811
ZINC105403811
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