Vitas-M small molecule compound

prop-2-en-1-yl 2-{(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate

Catalog ID
STL048099
SMILES C=CCOc1cccc(c1)C1N(c2nc(c(s2)C(=O)OCC=C)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/O

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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 C31H28N2O7S MW 572.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O7S/c1-5-12-38-22-9-7-8-19(16-22)25-24(26(34)20-10-11-23-21(15-20)14-17(3)40-23)27(35)29(36)33(25)31-32-18(4)28(41-31)30(37)39-13-6-2/h5-11,15-17,25,34H,1-2,12-14H2,3-4H3/b26-24+
InChIKey
FOVUMZIZTFEANM-SHHOIMCASA-N
Synonyms
893697-23-9
893697239
C=CCOc1cccc(c1)C1N(c2nc(c(s2)C(=O)OCC=C)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC(=C(S4)C(=O)OCC=C)C)C5=CC(=CC=C5)OCC=C)O
InChI=1SC31H28N2O7Sc1512382297819(1622)2524(26(34)2010112321(1520)1417(3)4023)27(35)29(36)33(25)313218(4)28(4131)30(37)391362h51115172534H121214H234H3b2624+
MFCD05738568
prop2en1yl2((3E)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)23DIOXO5(3PROP2ENOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000101316430
ZINC000101316433

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Available files

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