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-(4-ethoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL050898
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)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 C30H26N2O6S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O6S/c1-4-36-20-8-5-18(6-9-20)26-24(27(33)19-7-10-21-22(15-19)38-12-11-37-21)28(34)29(35)32(26)30-31-25-17(3)13-16(2)14-23(25)39-30/h5-10,13-15,26,33H,4,11-12H2,1-3H3/b27-24+InChIKey
RSYXPQOEMXIMBO-SOYKGTTHSA-NSynonyms
618859-10-2(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(46dimethyl13benzothiazol2yl)5(4ethoxyphenyl)pyrrolidine23dione
618859102
CCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C
CCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC30H26N2O6Sc1436208518(6920)2624(27(33)197102122(1519)3812113721)28(34)29(35)32(26)30312517(3)1316(2)1423(25)3930h51013152633H41112H213H3b2724+
MFCD05736440
ZINC000102888352
ZINC000102888354
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