Vitas-M small molecule compound
methyl 4-[2-amino-3-cyano-6-(2-fluorobenzyl)-5,5-dioxido-4,6-dihydropyrano[3,2-c][2,1]benzothiazin-4-yl]benzoate
Catalog ID
STL141762
SMILES COC(=O)c1ccc(cc1)C1C(=C(N)OC2=C1S(=O)(=O)N(c1c2cccc1)Cc1ccccc1F)C#N
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H20FN3O5S MW 517.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20FN3O5S/c1-35-27(32)17-12-10-16(11-13-17)23-20(14-29)26(30)36-24-19-7-3-5-9-22(19)31(37(33,34)25(23)24)15-18-6-2-4-8-21(18)28/h2-13,23H,15,30H2,1H3InChIKey
RIYSJQGTUKBVOV-UHFFFAOYSA-NSynonyms
893295-27-7893295277
COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=C2S(=O)(=O)N(C4=CC=CC=C43)CC5=CC=CC=C5F)N)C#N
InChI=1SC27H20FN3O5Sc13527(32)17121016(111317)2320(1429)26(30)362419735922(19)31(37(3334)25(23)24)1518624821(18)28h21323H1530H21H3
methyl4(2amino3cyano6((2fluorophenyl)methyl)55dioxo4Hpyrano(32c)(21)benzothiazin4yl)benzoate
METHYL4(2AMINO3CYANO6(2FLUOROBENZYL)55DIOXIDO46DIHYDROBENZO(C)PYRANO(23E)(12)THIAZIN4YL)BENZOATE
methyl4(2amino3cyano6(2fluorobenzyl)55dioxido46dihydropyrano(32c)(21)benzothiazin4yl)benzoate
MFCD14914463
ZINC000020558538
ZINC000020558540
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