Vitas-M small molecule compound
methyl 2-{(3E)-2-(3-ethoxyphenyl)-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
STK567860
SMILES CCOc1cccc(c1)C1N(c2nc(c(s2)C(=O)OC)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 C28H26N2O7S MW 534.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O7S/c1-5-36-19-8-6-7-16(13-19)22-21(23(31)17-9-10-20-18(12-17)11-14(2)37-20)24(32)26(33)30(22)28-29-15(3)25(38-28)27(34)35-4/h6-10,12-14,22,31H,5,11H2,1-4H3/b23-21+InChIKey
RSJCONJNCJYWBW-XTQSDGFTSA-NSynonyms
862199-89-1862199891
CCOC1=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
CCOc1cccc(c1)C1N(c2nc(c(s2)C(=O)OC)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC28H26N2O7Sc15361986716(1319)2221(23(31)179102018(1217)1114(2)3720)24(32)26(33)30(22)282915(3)25(3828)27(34)354h61012142231H511H214H3b2321+
methyl2((3E)2(3ethoxyphenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD05733890
ZINC000102549612
ZINC000102652363
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