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-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL055940
SMILES CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl)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 C32H29ClN2O5S MW 589.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29ClN2O5S/c1-17(2)11-12-39-23-6-4-5-19(15-23)28-27(29(36)20-7-10-25-21(14-20)13-18(3)40-25)30(37)31(38)35(28)32-34-24-9-8-22(33)16-26(24)41-32/h4-10,14-18,28,36H,11-13H2,1-3H3/b29-27+InChIKey
RAEKSADRALQULQ-ORIPQNMZSA-NSynonyms
(4E)1(6chloro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3(3methylbutoxy)phenyl)pyrrolidine23dione
CC(CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)Cl)C
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)Cl)C6=CC(=CC=C6)OCCC(C)C)O
InChI=1SC32H29ClN2O5Sc117(2)1112392364519(1523)2827(29(36)207102521(1420)1318(3)4025)30(37)31(38)35(28)3234249822(33)1626(24)4132h41014182836H1113H213H3b2927+
MFCD05735515
ZINC000102076586
ZINC000102076601
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