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-propoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL041024
SMILES CCCOc1cccc(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 C31H30N2O7S MW 574.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O7S/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/h6-11,15-17,25,34H,2,5,12-14H2,1,3-4H3/b26-24+InChIKey
FTKDMGJGQKYONK-SHHOIMCASA-NSynonyms
893697-98-8893697988
CCCOC1=CC=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
CCCOc1cccc(c1)C1N(c2nc(c(s2)C(=O)OCC=C)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC31H30N2O7Sc1512382297819(1622)2524(26(34)2010112321(1520)1417(3)4023)27(35)29(36)33(25)313218(4)28(4131)30(37)391362h61115172534H251214H2134H3b2624+
MFCD05733053
prop2en1yl2((3E)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxo2(3propoxyphenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
PROP2ENYL2((4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)23DIOXO5(3PROPOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ZINC000102867454
ZINC000102867464
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