Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
Catalog ID
STK568573
SMILES Cc1ccc(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 C28H22N2O5S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O5S/c1-15-3-6-17(7-4-15)24-23(25(31)18-8-10-20-21(14-18)35-12-11-34-20)26(32)27(33)30(24)28-29-19-9-5-16(2)13-22(19)36-28/h3-10,13-14,24,31H,11-12H2,1-2H3/b25-23+InChIKey
SOQNORTZPIAHOJ-WJTDDFOZSA-NSynonyms
618858-76-7(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6methyl13benzothiazol2yl)5(4methylphenyl)pyrrolidine23dione
618858767
CC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)C
Cc1ccc(cc1)C1N(c2nc3c(s2)cc(cc3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC28H22N2O5Sc1153617(7415)2423(25(31)188102021(1418)3512113420)26(32)27(33)30(24)2829199516(2)1322(19)3628h31013142431H1112H212H3b2523+
MFCD05727925
ZINC000102552940
ZINC000102552945
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