Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL055833
SMILES CCOc1cccc(c1)C1N(c2sc3c(n2)c(C)cc(c3)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 C30H26N2O6S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O6S/c1-4-36-20-7-5-6-18(14-20)26-24(27(33)19-8-9-21-22(15-19)38-11-10-37-21)28(34)29(35)32(26)30-31-25-17(3)12-16(2)13-23(25)39-30/h5-9,12-15,26,33H,4,10-11H2,1-3H3/b27-24+InChIKey
KEJLCTOIFWLGBW-SOYKGTTHSA-NSynonyms
573974-24-0(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)5(3ethoxyphenyl)pyrrolidine23dione
573974240
CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C
CCOc1cccc(c1)C1N(c2sc3c(n2)c(C)cc(c3)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC30H26N2O6Sc14362075618(1420)2624(27(33)19892122(1519)3811103721)28(34)29(35)32(26)30312517(3)1216(2)1323(25)3930h5912152633H41011H213H3b2724+
MFCD05725642
ZINC000102894922
ZINC000102894924
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