Vitas-M small molecule compound
(4E)-5-(3-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL057631
SMILES COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C1c1cccc(c1)Br
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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 C27H19BrN2O6S MW 579.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19BrN2O6S/c1-34-17-6-7-18-21(13-17)37-27(29-18)30-23(14-3-2-4-16(28)11-14)22(25(32)26(30)33)24(31)15-5-8-19-20(12-15)36-10-9-35-19/h2-8,11-13,23,31H,9-10H2,1H3/b24-22+InChIKey
QXKVWGXGEMNDAN-ZNTNEXAZSA-NSynonyms
7037-60-7(4E)5(3bromophenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methoxy13benzothiazol2yl)pyrrolidine23dione
7037607
COC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C3=O)C6=CC(=CC=C6)Br
COc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C1c1cccc(c1)Br
InChI=1SC27H19BrN2O6Sc13417671821(1317)3727(2918)3023(1432416(28)1114)22(25(32)26(30)33)24(31)15581920(1215)361093519h2811132331H910H21H3b2422+
MFCD07211828
ZINC000102897501
ZINC000102897504
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