Vitas-M small molecule compound
methyl 4-[(3E)-3-[hydroxy(phenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Catalog ID
STK560087
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccccc2)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
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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 C27H20N2O5S MW 484.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O5S/c1-15-8-13-19-20(14-15)35-27(28-19)29-22(16-9-11-18(12-10-16)26(33)34-2)21(24(31)25(29)32)23(30)17-6-4-3-5-7-17/h3-14,22,30H,1-2H3/b23-21+InChIKey
DNQPIGDJTCWVBI-XTQSDGFTSA-NSynonyms
514188-64-8514188648
CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC=CC=C4)O)C(=O)C3=O)C5=CC=C(C=C5)C(=O)OC
COC(=O)c1ccc(cc1)C1C(=C(c2ccccc2)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
InChI=1SC27H20N2O5Sc1158131920(1415)3527(2819)2922(1691118(121016)26(33)342)21(24(31)25(29)32)23(30)176435717h3142230H12H3b2321+
methyl4((3E)3(hydroxy(phenyl)methylidene)1(6methyl13benzothiazol2yl)45dioxopyrrolidin2yl)benzoate
METHYL4(4HYDROXY1(6METHYLBENZOTHIAZOL2YL)5OXO3(PHENYLCARBONYL)3PYRROLIN2YL)BENZOATE
MFCD03808216
ZINC000102492914
ZINC000102492921
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