Vitas-M small molecule compound
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STL055186
SMILES CCCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl
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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 C30H25ClN2O5S MW 561.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25ClN2O5S/c1-3-12-37-21-8-4-17(5-9-21)26-25(27(34)18-6-11-23-19(14-18)13-16(2)38-23)28(35)29(36)33(26)30-32-22-10-7-20(31)15-24(22)39-30/h4-11,14-16,26,34H,3,12-13H2,1-2H3/b27-25+InChIKey
AZTXZJNFHMQUIO-IMVLJIQESA-NSynonyms
893697-93-3(4E)1(6chloro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(4propoxyphenyl)pyrrolidine23dione
893697933
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)Cl
CCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl
InChI=1SC30H25ClN2O5Sc131237218417(5921)2625(27(34)186112319(1418)1316(2)3823)28(35)29(36)33(26)30322210720(31)1524(22)3930h41114162634H31213H212H3b2725+
MFCD05728074
ZINC000102894466
ZINC000102894473
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