Vitas-M small molecule compound
methyl 2-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL048775
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\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 C27H22N2O9S MW 550.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O9S/c1-13-23(26(34)36-3)39-27(28-13)29-20(14-4-6-15(7-5-14)25(33)35-2)19(22(31)24(29)32)21(30)16-8-9-17-18(12-16)38-11-10-37-17/h4-9,12,20,30H,10-11H2,1-3H3/b21-19+InChIKey
AREWMDOODGRNJT-XUTLUUPISA-NSynonyms
CC1=C(SC(=N1)N2C(C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC=C(C=C5)C(=O)OC)C(=O)OC
COC(=O)c1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1sc(c(n1)C)C(=O)OC
InChI=1SC27H22N2O9Sc11323(26(34)363)3927(2813)2920(144615(7514)25(33)352)19(22(31)24(29)32)21(30)16891718(1216)3811103717h49122030H1011H213H3b2119+
methyl2((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)2(4(methoxycarbonyl)phenyl)45dioxopyrrolidin1yl)4methyl13thiazole5carboxylate
METHYL2((3E)3(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)2(4METHOXYCARBONYLPHENYL)45DIOXOPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
MFCD05729713
ZINC000102884909
ZINC000102884911
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Check stock on Vitas-MAvailable files
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