Vitas-M small molecule compound
methyl 4-(2-amino-3-cyano-6-methyl-5,5-dioxido-4,6-dihydropyrano[3,2-c][2,1]benzothiazin-4-yl)benzoate
Catalog ID
STL081690
SMILES COC(=O)c1ccc(cc1)C1C(=C(N)OC2=C1S(=O)(=O)N(c1c2cccc1)C)C#N
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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 C21H17N3O5S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S/c1-24-16-6-4-3-5-14(16)18-19(30(24,26)27)17(15(11-22)20(23)29-18)12-7-9-13(10-8-12)21(25)28-2/h3-10,17H,23H2,1-2H3InChIKey
XHFAAELFFPRFJW-UHFFFAOYSA-NSynonyms
CN1C2=CC=CC=C2C3=C(S1(=O)=O)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)C(=O)OC
InChI=1SC21H17N3O5Sc12416643514(16)1819(30(2426)27)17(15(1122)20(23)2918)127913(10812)21(25)282h31017H23H212H3
methyl4(2amino3cyano6methyl55dioxido46dihydropyrano(32c)(21)benzothiazin4yl)benzoate
methyl4(2amino3cyano6methyl55dioxo4Hpyrano(32c)(21)benzothiazin4yl)benzoate
MFCD18201736
ZINC000057510530
ZINC000057510534
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