Vitas-M small molecule compound
methyl 2-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL055853
SMILES COC(=O)c1sc(nc1C)N1C(c2ccc(cc2)OC)/C(=C(/c2ccc3c(c2)OCCO3)\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 C26H22N2O8S MW 522.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O8S/c1-13-23(25(32)34-3)37-26(27-13)28-20(14-4-7-16(33-2)8-5-14)19(22(30)24(28)31)21(29)15-6-9-17-18(12-15)36-11-10-35-17/h4-9,12,20,29H,10-11H2,1-3H3/b21-19+InChIKey
JPJYKEIPYNLWRM-XUTLUUPISA-NSynonyms
577766-98-4577766984
CC1=C(SC(=N1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=C(C=C5)OC)C(=O)OC
COC(=O)c1sc(nc1C)N1C(c2ccc(cc2)OC)C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C1=O
InChI=1SC26H22N2O8Sc11323(25(32)343)3726(2713)2820(144716(332)8514)19(22(30)24(28)31)21(29)15691718(1215)3611103517h49122029H1011H213H3b2119+
methyl2((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)2(4methoxyphenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
MFCD05733645
ZINC000102894790
ZINC000102894792
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