Vitas-M small molecule compound
methyl 2-{(3E)-2-(3,4-dimethoxyphenyl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL047348
SMILES COc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)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 C26H24N2O7S MW 508.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O7S/c1-13-6-8-15(9-7-13)21(29)19-20(16-10-11-17(33-3)18(12-16)34-4)28(24(31)22(19)30)26-27-14(2)23(36-26)25(32)35-5/h6-12,20,29H,1-5H3/b21-19+InChIKey
QSEXEGXKTHRLPR-XUTLUUPISA-NSynonyms
371217-11-7371217117
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC(=C(C=C4)OC)OC)O
COc1ccc(cc1OC)C1C(=C(c2ccc(cc2)C)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
InChI=1SC26H24N2O7Sc1136815(9713)21(29)1920(16101117(333)18(1216)344)28(24(31)22(19)30)262714(2)23(3626)25(32)355h6122029H15H3b2119+
methyl2((3E)2(34dimethoxyphenyl)3(hydroxy(4methylphenyl)methylidene)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD03815940
ZINC000102883050
ZINC000102883053
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