Vitas-M small molecule compound
methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]benzoate
Catalog ID
STK572048
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nccs1
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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 C24H18N2O7S MW 478.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O7S/c1-31-23(30)14-4-2-13(3-5-14)19-18(21(28)22(29)26(19)24-25-8-11-34-24)20(27)15-6-7-16-17(12-15)33-10-9-32-16/h2-8,11-12,19,27H,9-10H2,1H3/b20-18+InChIKey
INFAYCORMQGNAC-CZIZESTLSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NC=CS5
COC(=O)c1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nccs1
InChI=1SC24H18N2O7Sc13123(30)144213(3514)1918(21(28)22(29)26(19)24258113424)20(27)15671617(1215)331093216h2811121927H910H21H3b2018+
methyl4((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)45dioxo1(13thiazol2yl)pyrrolidin2yl)benzoate
MFCD07203933
ZINC000102657461
ZINC000102657465
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