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-(3-propoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK569733
SMILES CCCOc1cccc(c1)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/c1-3-11-37-21-6-4-5-17(14-21)26-25(27(34)18-7-10-23-19(13-18)12-16(2)38-23)28(35)29(36)33(26)30-32-22-9-8-20(31)15-24(22)39-30/h4-10,13-16,26,34H,3,11-12H2,1-2H3/b27-25+InChIKey
DOBNJMBPYNCHIW-IMVLJIQESA-NSynonyms
893697-15-9(4E)1(6chloro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3propoxyphenyl)pyrrolidine23dione
893697159
CCCOC1=CC=CC(=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
CCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl
InChI=1SC30H25ClN2O5Sc1311372164517(1421)2625(27(34)187102319(1318)1216(2)3823)28(35)29(36)33(26)3032229820(31)1524(22)3930h41013162634H31112H212H3b2725+
MFCD05738744
ZINC000102558870
ZINC000102654276
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