Vitas-M small molecule compound
methyl (2Z)-[5-amino-6-cyano-7-(4-fluorophenyl)-8-[(4-methoxyphenyl)carbamoyl]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2(3H)-ylidene]ethanoate
Catalog ID
STL447771
SMILES COC(=O)/C=c/1\sc2=C(C(=O)Nc3ccc(cc3)OC)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1)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 C25H19FN4O5S MW 506.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19FN4O5S/c1-34-16-9-7-15(8-10-16)29-23(32)21-20(13-3-5-14(26)6-4-13)17(12-27)22(28)30-24(33)18(36-25(21)30)11-19(31)35-2/h3-11,20H,28H2,1-2H3,(H,29,32)/b18-11-InChIKey
HFGYDWXJEXGWNK-WQRHYEAKSA-NSynonyms
COC(=O)C=c1sc2=C(C(=O)Nc3ccc(cc3)OC)C(C(=C(n2c1=O)N)C#N)c1ccc(cc1)F
COC1=CC=C(C=C1)NC(=O)C2=C3N(C(=C(C2C4=CC=C(C=C4)F)C#N)N)C(=O)C(=CC(=O)OC)S3
InChI=1SC25H19FN4O5Sc134169715(81016)2923(32)2120(133514(26)6413)17(1227)22(28)3024(33)18(3625(21)30)1119(31)352h31120H28H212H3(H2932)b1811
methyl(2Z)(5amino6cyano7(4fluorophenyl)8((4methoxyphenyl)carbamoyl)3oxo7H(13)thiazolo(32a)pyridin2(3H)ylidene)ethanoate
METHYL(2Z)2(5AMINO6CYANO7(4FLUOROPHENYL)8((4METHOXYPHENYL)CARBAMOYL)3OXO7H(13)THIAZOLO(32A)PYRIDIN2YLIDENE)ACETATE
MFCD06242181
ZINC000003769896
ZINC000003769898
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