Vitas-M small molecule compound
methyl 2-{(3E)-2-(3-ethoxy-4-propoxyphenyl)-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
STL049465
SMILES CCCOc1ccc(cc1OCC)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 C31H32N2O8S MW 592.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O8S/c1-6-12-40-22-11-8-18(15-23(22)39-7-2)25-24(26(34)19-9-10-21-20(14-19)13-16(3)41-21)27(35)29(36)33(25)31-32-17(4)28(42-31)30(37)38-5/h8-11,14-16,25,34H,6-7,12-13H2,1-5H3/b26-24+InChIKey
XFDOTNDIYJSVSS-SHHOIMCASA-NSynonyms
893701-09-2893701092
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OC)C)OCC
CCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
InChI=1SC31H32N2O8Sc1612402211818(1523(22)3972)2524(26(34)199102120(1419)1316(3)4121)27(35)29(36)33(25)313217(4)28(4231)30(37)385h81114162534H671213H215H3b2624+
methyl2((3E)2(3ethoxy4propoxyphenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD05736109
ZINC000102887327
ZINC000102887331
Check stock
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