Vitas-M small molecule compound
methyl 4-[2-amino-3-cyano-6-(3-methylbenzyl)-5,5-dioxido-4,6-dihydropyrano[3,2-c][2,1]benzothiazin-4-yl]benzoate
Catalog ID
STL141771
SMILES COC(=O)c1ccc(cc1)C1C(=C(N)OC2=C1S(=O)(=O)N(c1c2cccc1)Cc1cccc(c1)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 C28H23N3O5S MW 513.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O5S/c1-17-6-5-7-18(14-17)16-31-23-9-4-3-8-21(23)25-26(37(31,33)34)24(22(15-29)27(30)36-25)19-10-12-20(13-11-19)28(32)35-2/h3-14,24H,16,30H2,1-2H3InChIKey
QFVUFGSZVMWUKS-UHFFFAOYSA-NSynonyms
893298-19-6893298196
CC1=CC(=CC=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=1SC28H23N3O5Sc11765718(1417)163123943821(23)2526(37(3133)34)24(22(1529)27(30)3625)19101220(131119)28(32)352h31424H1630H212H3
methyl4(2amino3cyano6((3methylphenyl)methyl)55dioxo4Hpyrano(32c)(21)benzothiazin4yl)benzoate
METHYL4(2AMINO3CYANO6(3METHYLBENZYL)55DIOXIDO46DIHYDROBENZO(C)PYRANO(23E)(12)THIAZIN4YL)BENZOATE
methyl4(2amino3cyano6(3methylbenzyl)55dioxido46dihydropyrano(32c)(21)benzothiazin4yl)benzoate
MFCD14914500
ZINC000020558642
ZINC000020558643
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