Vitas-M small molecule compound
methyl 4-{(3E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STL054112
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
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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 C29H21FN2O6S MW 544.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21FN2O6S/c1-14-11-18-12-17(7-10-21(18)38-14)25(33)23-24(15-3-5-16(6-4-15)28(36)37-2)32(27(35)26(23)34)29-31-20-9-8-19(30)13-22(20)39-29/h3-10,12-14,24,33H,11H2,1-2H3/b25-23+InChIKey
YXHABXSFOQDFLG-WJTDDFOZSA-NSynonyms
877782-34-8877782348
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)F)C6=CC=C(C=C6)C(=O)OC)O
COC(=O)c1ccc(cc1)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
InChI=1SC29H21FN2O6Sc11411181217(71021(18)3814)25(33)2324(153516(6415)28(36)372)32(27(35)26(23)34)2931209819(30)1322(20)3929h31012142433H11H212H3b2523+
methyl4((3E)1(6fluoro13benzothiazol2yl)3(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)45dioxopyrrolidin2yl)benzoate
MFCD05726519
ZINC000102892713
ZINC000102892719
Check stock
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