Vitas-M small molecule compound
methyl 4-[2-amino-3-cyano-6-(4-methoxybenzyl)-5,5-dioxido-4,6-dihydropyrano[3,2-c][2,1]benzothiazin-4-yl]benzoate
Catalog ID
STL141775
SMILES COc1ccc(cc1)CN1c2ccccc2C2=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 C28H23N3O6S MW 529.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O6S/c1-35-20-13-7-17(8-14-20)16-31-23-6-4-3-5-21(23)25-26(38(31,33)34)24(22(15-29)27(30)37-25)18-9-11-19(12-10-18)28(32)36-2/h3-14,24H,16,30H2,1-2H3InChIKey
GGMGZOSUKBWTLO-UHFFFAOYSA-NSynonyms
893298-90-3893298903
COC1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C(S2(=O)=O)C(C(=C(O4)N)C#N)C5=CC=C(C=C5)C(=O)OC
InChI=1SC28H23N3O6Sc1352013717(81420)163123643521(23)2526(38(3133)34)24(22(1529)27(30)3725)1891119(121018)28(32)362h31424H1630H212H3
methyl4(2amino3cyano6((4methoxyphenyl)methyl)55dioxo4Hpyrano(32c)(21)benzothiazin4yl)benzoate
METHYL4(2AMINO3CYANO6(4METHOXYBENZYL)55DIOXIDO46DIHYDROBENZO(C)PYRANO(23E)(12)THIAZIN4YL)BENZOATE
methyl4(2amino3cyano6(4methoxybenzyl)55dioxido46dihydropyrano(32c)(21)benzothiazin4yl)benzoate
MFCD14914510
ZINC000100032590
ZINC000100032593
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