Vitas-M small molecule compound
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(3,4-dimethoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK569960
SMILES COc1cc(ccc1OC)C1N(c2nc3c(s2)cc(cc3)Cl)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 C28H21ClN2O7S MW 565.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN2O7S/c1-35-18-7-3-14(11-20(18)36-2)24-23(25(32)15-4-8-19-21(12-15)38-10-9-37-19)26(33)27(34)31(24)28-30-17-6-5-16(29)13-22(17)39-28/h3-8,11-13,24,32H,9-10H2,1-2H3/b25-23+InChIKey
QPEWYZOUVUHSST-WJTDDFOZSA-NSynonyms
(4E)1(6chloro13benzothiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(34dimethoxyphenyl)pyrrolidine23dione
COC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)Cl)OC
COc1cc(ccc1OC)C1N(c2nc3c(s2)cc(cc3)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC28H21ClN2O7Sc135187314(1120(18)362)2423(25(32)15481921(1215)381093719)26(33)27(34)31(24)2830176516(29)1322(17)3928h3811132432H910H212H3b2523+
MFCD05734052
ZINC000102559861
ZINC000102559870
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