Vitas-M small molecule compound
methyl 4-[2-amino-3-cyano-6-(4-fluorobenzyl)-5,5-dioxido-4,6-dihydropyrano[3,2-c][2,1]benzothiazin-4-yl]benzoate
Catalog ID
STL141755
SMILES N#CC1=C(N)OC2=C(C1c1ccc(cc1)C(=O)OC)S(=O)(=O)N(c1c2cccc1)Cc1ccc(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 C27H20FN3O5S MW 517.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20FN3O5S/c1-35-27(32)18-10-8-17(9-11-18)23-21(14-29)26(30)36-24-20-4-2-3-5-22(20)31(37(33,34)25(23)24)15-16-6-12-19(28)13-7-16/h2-13,23H,15,30H2,1H3InChIKey
IRMFTRLSRQJMFN-UHFFFAOYSA-NSynonyms
893293-25-9893293259
COC(=O)C1=CC=C(C=C1)C2C(=C(OC3=C2S(=O)(=O)N(C4=CC=CC=C43)CC5=CC=C(C=C5)F)N)C#N
InChI=1SC27H20FN3O5Sc13527(32)1810817(91118)2321(1429)26(30)362420423522(20)31(37(3334)25(23)24)151661219(28)13716h21323H1530H21H3
methyl4(2amino3cyano6((4fluorophenyl)methyl)55dioxo4Hpyrano(32c)(21)benzothiazin4yl)benzoate
METHYL4(2AMINO3CYANO6(4FLUOROBENZYL)55DIOXIDO46DIHYDROBENZO(C)PYRANO(23E)(12)THIAZIN4YL)BENZOATE
methyl4(2amino3cyano6(4fluorobenzyl)55dioxido46dihydropyrano(32c)(21)benzothiazin4yl)benzoate
MFCD14914437
ZINC000020558467
ZINC000020558469
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