Vitas-M small molecule compound

methyl 2-{(3E)-2-(3-chlorophenyl)-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
STK569126
SMILES COC(=O)c1sc(nc1C)N1C(c2cccc(c2)Cl)/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C1=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 C26H21ClN2O6S MW 524.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O6S/c1-12-9-16-10-15(7-8-18(16)35-12)21(30)19-20(14-5-4-6-17(27)11-14)29(24(32)22(19)31)26-28-13(2)23(36-26)25(33)34-3/h4-8,10-12,20,30H,9H2,1-3H3/b21-19+
InChIKey
OCPQHIXBMCWAGH-XUTLUUPISA-N
Synonyms
877807-69-7
877807697
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC(=C(S4)C(=O)OC)C)C5=CC(=CC=C5)Cl)O
COC(=O)c1sc(nc1C)N1C(c2cccc(c2)Cl)C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C1=O
InChI=1SC26H21ClN2O6Sc1129161015(7818(16)3512)21(30)1920(1454617(27)1114)29(24(32)22(19)31)262813(2)23(3626)25(33)343h4810122030H9H213H3b2119+
methyl2((3E)2(3chlorophenyl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD05733059
ZINC000102555807
ZINC000102653856

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Available files

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