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-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL053354
SMILES CCCCCOc1ccc(cc1)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 C34H34N2O5S MW 582.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H34N2O5S/c1-5-6-7-14-40-25-11-8-22(9-12-25)30-28(31(37)23-10-13-26-24(18-23)17-21(4)41-26)32(38)33(39)36(30)34-35-29-20(3)15-19(2)16-27(29)42-34/h8-13,15-16,18,21,30,37H,5-7,14,17H2,1-4H3/b31-28+InChIKey
HJVCROFSPPPJOS-CCFHIKDMSA-NSynonyms
893699-97-3(4E)1(46dimethyl13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(4(pentyloxy)phenyl)pyrrolidine23dione
(4E)1(46DIMETHYL13BENZOTHIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(4PENTOXYPHENYL)PYRROLIDINE23DIONE
893699973
CCCCCOC1=CC=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
CCCCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC34H34N2O5Sc156714402511822(91225)3028(31(37)2310132624(1823)1721(4)4126)32(38)33(39)36(30)34352920(3)1519(2)1627(29)4234h813151618213037H571417H214H3b3128+
MFCD05734801
ZINC000102893203
ZINC000102893209
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.