Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK570629
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)O)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=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 C28H22N2O7S MW 530.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O7S/c1-2-35-18-8-9-19-22(14-18)38-28(29-19)30-24(15-3-6-17(31)7-4-15)23(26(33)27(30)34)25(32)16-5-10-20-21(13-16)37-12-11-36-20/h3-10,13-14,24,31-32H,2,11-12H2,1H3/b25-23+InChIKey
WLTDYWLFXFAPIV-WJTDDFOZSA-NSynonyms
587005-29-6(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)5(4hydroxyphenyl)pyrrolidine23dione
587005296
CCOC1=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)O
CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)O)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC28H22N2O7Sc123518891922(1418)3828(2919)3024(153617(31)7415)23(26(33)27(30)34)25(32)165102021(1316)3712113620h3101314243132H21112H21H3b2523+
MFCD05728803
ZINC000102563364
ZINC000102563371
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