Vitas-M small molecule compound
prop-2-en-1-yl 2-{(3E)-2-[4-(benzyloxy)-3-ethoxyphenyl]-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL056427
SMILES C=CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1ccc(c(c1)OCC)OCc1ccccc1
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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 C37H34N2O8S MW 666.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H34N2O8S/c1-5-16-45-36(43)34-22(4)38-37(48-34)39-31(24-12-15-28(29(19-24)44-6-2)46-20-23-10-8-7-9-11-23)30(33(41)35(39)42)32(40)25-13-14-27-26(18-25)17-21(3)47-27/h5,7-15,18-19,21,31,40H,1,6,16-17,20H2,2-4H3/b32-30+InChIKey
LBDPJTIUJPUCTP-NHQGMKOOSA-NSynonyms
893696-96-3893696963
C=CCOC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1ccc(c(c1)OCC)OCc1ccccc1
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC=C)C)OCC6=CC=CC=C6
InChI=1SC37H34N2O8Sc15164536(43)3422(4)3837(4834)3931(24121528(29(1924)4462)462023108791123)30(33(41)35(39)42)32(40)2513142726(1825)1721(3)4727h57151819213140H16161720H224H3b3230+
MFCD05732951
prop2en1yl2((3E)2(4(benzyloxy)3ethoxyphenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((3E)2(3ETHOXY4PHENYLMETHOXYPHENYL)3(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000150466088
ZINC000150466107
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