Vitas-M small molecule compound
(4E)-5-(4-ethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STL048887
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)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 C30H26N2O5S MW 526.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26N2O5S/c1-4-36-21-9-6-18(7-10-21)26-25(27(33)19-8-12-23-20(15-19)14-17(3)37-23)28(34)29(35)32(26)30-31-22-11-5-16(2)13-24(22)38-30/h5-13,15,17,26,33H,4,14H2,1-3H3/b27-25+InChIKey
ITTVUIGMSANNNE-IMVLJIQESA-NSynonyms
877781-26-5(4E)5(4ethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
877781265
CCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)C
CCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
InChI=1SC30H26N2O5Sc1436219618(71021)2625(27(33)198122320(1519)1417(3)3723)28(34)29(35)32(26)30312211516(2)1324(22)3830h51315172633H414H213H3b2725+
MFCD05725760
ZINC000102885004
ZINC000102885014
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