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-ethylphenyl)pyrrolidine-2,3-dione
Catalog ID
STK566890
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)CC)/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 C30H26N2O6S MW 542.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O6S/c1-3-17-5-7-18(8-6-17)26-25(27(33)19-9-12-22-23(15-19)38-14-13-37-22)28(34)29(35)32(26)30-31-21-11-10-20(36-4-2)16-24(21)39-30/h5-12,15-16,26,33H,3-4,13-14H2,1-2H3/b27-25+InChIKey
JSLAWAMHMXCUGR-IMVLJIQESA-NSynonyms
573709-81-6(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(6ethoxy13benzothiazol2yl)5(4ethylphenyl)pyrrolidine23dione
573709816
CCC1=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)OCC
CCOc1ccc2c(c1)sc(n2)N1C(c2ccc(cc2)CC)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC30H26N2O6Sc13175718(8617)2625(27(33)199122223(1519)3814133722)28(34)29(35)32(26)303121111020(3642)1624(21)3930h51215162633H341314H212H3b2725+
MFCD05726181
ZINC000102650777
ZINC000102650779
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