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-phenylpyrrolidine-2,3-dione
Catalog ID
STK567752
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccccc2)/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 C28H22N2O6S MW 514.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O6S/c1-2-34-18-9-10-19-22(15-18)37-28(29-19)30-24(16-6-4-3-5-7-16)23(26(32)27(30)33)25(31)17-8-11-20-21(14-17)36-13-12-35-20/h3-11,14-15,24,31H,2,12-13H2,1H3/b25-23+InChIKey
DJONHHTVOUCUNB-WJTDDFOZSA-NSynonyms
578733-19-4(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)5phenylpyrrolidine23dione
578733194
CCOC1=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
CCOc1ccc2c(c1)sc(n2)N1C(c2ccccc2)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC28H22N2O6Sc1234189101922(1518)3728(2919)3024(166435716)23(26(32)27(30)33)25(31)178112021(1417)3613123520h31114152431H21213H21H3b2523+
MFCD05724685
ZINC000102549112
ZINC000102549120
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