Vitas-M small molecule compound
ethyl 2-{(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-[3-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL041126
SMILES CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1cccc(c1)OCCC(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 C32H34N2O7S MW 590.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O7S/c1-6-39-31(38)29-19(5)33-32(42-29)34-26(20-8-7-9-23(16-20)40-13-12-17(2)3)25(28(36)30(34)37)27(35)21-10-11-24-22(15-21)14-18(4)41-24/h7-11,15-18,26,35H,6,12-14H2,1-5H3/b27-25+InChIKey
BGPDUHYKNOFSDC-IMVLJIQESA-NSynonyms
893699-31-5893699315
CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C2=O)C5=CC(=CC=C5)OCCC(C)C)C
CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1cccc(c1)OCCC(C)C
ethyl2((3E)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)2(3(3methylbutoxy)phenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
InChI=1SC32H34N2O7Sc163931(38)2919(5)3332(4229)3426(2087923(1620)40131217(2)3)25(28(36)30(34)37)27(35)2110112422(1521)1418(4)4124h71115182635H61214H215H3b2725+
MFCD05726927
ZINC000102870056
ZINC000102870064
Check stock
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