Vitas-M small molecule compound
(4E)-5-(4-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK568328
SMILES Brc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C27H19BrN2O5S MW 563.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19BrN2O5S/c1-14-2-8-18-21(12-14)36-27(29-18)30-23(15-3-6-17(28)7-4-15)22(25(32)26(30)33)24(31)16-5-9-19-20(13-16)35-11-10-34-19/h2-9,12-13,23,31H,10-11H2,1H3/b24-22+InChIKey
ARURALXKMGMNSH-ZNTNEXAZSA-NSynonyms
(4E)5(4bromophenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
Brc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC=C(C=C6)Br
InChI=1SC27H19BrN2O5Sc114281821(1214)3627(2918)3023(153617(28)7415)22(25(32)26(30)33)24(31)16591920(1316)3511103419h2912132331H1011H21H3b2422+
MFCD05735213
ZINC000101072829
ZINC000101072832
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