Vitas-M small molecule compound

(4E)-5-(4-butoxy-3-ethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione

Catalog ID
STK567611
SMILES CCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C

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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 C35H36N2O6S MW 612.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N2O6S/c1-6-8-13-42-26-12-9-22(18-27(26)41-7-2)31-29(32(38)23-10-11-25-24(17-23)16-21(5)43-25)33(39)34(40)37(31)35-36-30-20(4)14-19(3)15-28(30)44-35/h9-12,14-15,17-18,21,31,38H,6-8,13,16H2,1-5H3/b32-29+
InChIKey
VQNKEPRGKMLWSR-UUDCSCGESA-N
Synonyms
893697-71-7
(4E)5(4butoxy3ethoxyphenyl)1(46dimethyl13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
893697717
CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C)OCC
CCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC35H36N2O6Sc16813422612922(1827(26)4172)3129(32(38)2310112524(1723)1621(5)4325)33(39)34(40)37(31)35363020(4)1419(3)1528(30)4435h91214151718213138H681316H215H3b3229+
MFCD05732192
ZINC000102548395
ZINC000102651831

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Available files

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