Vitas-M small molecule compound
methyl 2-[(3E)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL039190
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=O)/C(=C(\c2ccc(c(c2)C)OC)/O)/C1c1cccc(c1)Oc1ccccc1
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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 C31H26N2O7S MW 570.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O7S/c1-17-15-20(13-14-23(17)38-3)26(34)24-25(19-9-8-12-22(16-19)40-21-10-6-5-7-11-21)33(29(36)27(24)35)31-32-18(2)28(41-31)30(37)39-4/h5-16,25,34H,1-4H3/b26-24+InChIKey
RYXFTQPWDLOPIF-SHHOIMCASA-NSynonyms
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC(=CC=C4)OC5=CC=CC=C5)O)OC
COC(=O)c1sc(nc1C)N1C(=O)C(=O)C(=C(c2ccc(c(c2)C)OC)O)C1c1cccc(c1)Oc1ccccc1
InChI=1SC31H26N2O7Sc1171520(131423(17)383)26(34)2425(19981222(1619)4021106571121)33(29(36)27(24)35)313218(2)28(4131)30(37)394h5162534H14H3b2624+
methyl2((3E)3(hydroxy(4methoxy3methylphenyl)methylidene)45dioxo2(3phenoxyphenyl)pyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((4E)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)23DIOXO5(3PHENOXYPHENYL)PYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD03814859
ZINC000102864133
ZINC000102864136
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