Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL051014
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)c1sc2c(n1)c(C)cc(c2)C)/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 C29H24N2O5S MW 512.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O5S/c1-14-10-15(2)24-22(11-14)37-29(30-24)31-25(17-4-7-20(32)8-5-17)23(27(34)28(31)35)26(33)18-6-9-21-19(13-18)12-16(3)36-21/h4-11,13,16,25,32-33H,12H2,1-3H3/b26-23+InChIKey
ZOZYALPVZXONLJ-WNAAXNPUSA-NSynonyms
893699-00-8(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(4hydroxyphenyl)pyrrolidine23dione
893699008
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(C=C(C=C5S4)C)C)C6=CC=C(C=C6)O)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)O)c1sc2c(n1)c(C)cc(c2)C)O
InChI=1SC29H24N2O5Sc1141015(2)2422(1114)3729(3024)3125(174720(32)8517)23(27(34)28(31)35)26(33)18692119(1318)1216(3)3621h4111316253233H12H213H3b2623+
MFCD07212351
ZINC000102771182
ZINC000102771188
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