Vitas-M small molecule compound
methyl 4-(2-amino-3-cyano-6-ethyl-5,5-dioxido-4,6-dihydropyrano[3,2-c][2,1]benzothiazin-4-yl)benzoate
Catalog ID
STL081714
SMILES CCN1c2ccccc2C2=C(S1(=O)=O)C(c1ccc(cc1)C(=O)OC)C(=C(O2)N)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 C22H19N3O5S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5S/c1-3-25-17-7-5-4-6-15(17)19-20(31(25,27)28)18(16(12-23)21(24)30-19)13-8-10-14(11-9-13)22(26)29-2/h4-11,18H,3,24H2,1-2H3InChIKey
VGRZHOCPZRHEPB-UHFFFAOYSA-NSynonyms
CCN1C2=CC=CC=C2C3=C(S1(=O)=O)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)C(=O)OC
InChI=1SC22H19N3O5Sc132517754615(17)1920(31(2527)28)18(16(1223)21(24)3019)1381014(11913)22(26)292h41118H324H212H3
methyl4(2amino3cyano6ethyl55dioxido46dihydropyrano(32c)(21)benzothiazin4yl)benzoate
methyl4(2amino3cyano6ethyl55dioxo4Hpyrano(32c)(21)benzothiazin4yl)benzoate
MFCD18201741
ZINC000057510562
ZINC000057510567
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