Vitas-M small molecule compound
methyl 2-{(3E)-2-(3-butoxyphenyl)-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
STL042808
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
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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 C30H30N2O7S MW 562.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O7S/c1-5-6-12-38-21-9-7-8-18(15-21)24-23(25(33)19-10-11-22-20(14-19)13-16(2)39-22)26(34)28(35)32(24)30-31-17(3)27(40-30)29(36)37-4/h7-11,14-16,24,33H,5-6,12-13H2,1-4H3/b25-23+InChIKey
XJOPMKQSRQCJPX-WJTDDFOZSA-NSynonyms
893697-50-2893697502
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OC)C
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
InChI=1SC30H30N2O7Sc15612382197818(1521)2423(25(33)1910112220(1419)1316(2)3922)26(34)28(35)32(24)303117(3)27(4030)29(36)374h71114162433H561213H214H3b2523+
methyl2((3E)2(3butoxyphenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD05735794
ZINC000102871294
ZINC000102871310
Check stock
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Check stock on Vitas-MAvailable files
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