Vitas-M small molecule compound
(4E)-1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-(3,4-diethoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL057218
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)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 C30H30N2O7S MW 562.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O7S/c1-6-37-22-11-8-18(14-23(22)38-7-2)25-24(26(34)19-9-10-21-20(13-19)12-15(3)39-21)27(35)29(36)32(25)30-31-16(4)28(40-30)17(5)33/h8-11,13-15,25,34H,6-7,12H2,1-5H3/b26-24+InChIKey
XREWHHYBQWEBBW-SHHOIMCASA-NSynonyms
893701-48-9(4E)1(5acetyl4methyl13thiazol2yl)5(34diethoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
893701489
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)C)C)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)C
InChI=1SC30H30N2O7Sc16372211818(1423(22)3872)2524(26(34)199102120(1319)1215(3)3921)27(35)29(36)32(25)303116(4)28(4030)17(5)33h81113152534H6712H215H3b2624+
MFCD05725991
ZINC000102896935
ZINC000102896940
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