Vitas-M small molecule compound
(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-[3-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL048988
SMILES CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C)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 C33H32N2O5S MW 568.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N2O5S/c1-18(2)12-13-39-24-7-5-6-21(17-24)29-28(30(36)22-9-11-26-23(16-22)15-20(4)40-26)31(37)32(38)35(29)33-34-25-10-8-19(3)14-27(25)41-33/h5-11,14,16-18,20,29,36H,12-13,15H2,1-4H3/b30-28+InChIKey
JMMWTGIGTHZLKX-SJCQXOIGSA-NSynonyms
893699-16-6(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)5(3(3methylbutoxy)phenyl)pyrrolidine23dione
893699166
CC(CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C)C
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)C)C6=CC(=CC=C6)OCCC(C)C)O
InChI=1SC33H32N2O5Sc118(2)1213392475621(1724)2928(30(36)229112623(1622)1520(4)4026)31(37)32(38)35(29)33342510819(3)1427(25)4133h511141618202936H121315H214H3b3028+
MFCD05733837
ZINC000102076560
ZINC000102076576
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