Vitas-M small molecule compound
methyl 4-{(3E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-3-[hydroxy(4-methoxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STL148576
SMILES COc1ccc(cc1)/C(=C\1/C(c2ccc(cc2)C(=O)OC)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)F)/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 C27H19FN2O6S MW 518.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19FN2O6S/c1-35-18-10-7-15(8-11-18)23(31)21-22(14-3-5-16(6-4-14)26(34)36-2)30(25(33)24(21)32)27-29-19-12-9-17(28)13-20(19)37-27/h3-13,22,31H,1-2H3/b23-21+InChIKey
ADULWKQPJDXXHP-XTQSDGFTSA-NSynonyms
514191-05-0514191050
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)F)C5=CC=C(C=C5)C(=O)OC)O
COc1ccc(cc1)C(=C1C(c2ccc(cc2)C(=O)OC)N(C(=O)C1=O)c1sc2c(n1)ccc(c2)F)O
InChI=1SC27H19FN2O6Sc1351810715(81118)23(31)2122(143516(6414)26(34)362)30(25(33)24(21)32)27291912917(28)1320(19)3727h3132231H12H3b2321+
methyl4((3E)1(6fluoro13benzothiazol2yl)3(hydroxy(4methoxyphenyl)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4(1(6FLUOROBENZOTHIAZOL2YL)4HYDROXY3((4METHOXYPHENYL)CARBONYL)5OXO3PYRROLIN2YL)BENZOATE
MFCD03795960
ZINC000102927521
ZINC000102927525
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