Vitas-M small molecule compound
methyl 4-{(3E)-1-(6-fluoro-1,3-benzothiazol-2-yl)-3-[hydroxy(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate
Catalog ID
STL149387
SMILES COC(=O)c1ccc(cc1)C1/C(=C(/c2ccc(cc2)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 C27H19FN2O5S MW 502.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19FN2O5S/c1-14-3-5-16(6-4-14)23(31)21-22(15-7-9-17(10-8-15)26(34)35-2)30(25(33)24(21)32)27-29-19-12-11-18(28)13-20(19)36-27/h3-13,22,31H,1-2H3/b23-21+InChIKey
LBCNWVIBKSRNFK-XTQSDGFTSA-NSynonyms
514190-21-7514190217
CC1=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
COC(=O)c1ccc(cc1)C1C(=C(c2ccc(cc2)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
InChI=1SC27H19FN2O5Sc1143516(6414)23(31)2122(157917(10815)26(34)352)30(25(33)24(21)32)272919121118(28)1320(19)3627h3132231H12H3b2321+
methyl4((3E)1(6fluoro13benzothiazol2yl)3(hydroxy(4methylphenyl)methylidene)45dioxopyrrolidin2yl)benzoate
METHYL4(1(6FLUOROBENZOTHIAZOL2YL)4HYDROXY3((4METHYLPHENYL)CARBONYL)5OXO3PYRROLIN2YL)BENZOATE
MFCD03810945
ZINC000102928590
ZINC000102928591
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