Vitas-M small molecule compound
2-amino-4-(3,4-dimethoxyphenyl)-6-(3-methoxybenzyl)-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-3-carbonitrile 5,5-dioxide
Catalog ID
STL141780
SMILES COc1cccc(c1)CN1c2ccccc2C2=C(S1(=O)=O)C(c1ccc(c(c1)OC)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 C28H25N3O6S MW 531.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O6S/c1-34-19-8-6-7-17(13-19)16-31-22-10-5-4-9-20(22)26-27(38(31,32)33)25(21(15-29)28(30)37-26)18-11-12-23(35-2)24(14-18)36-3/h4-14,25H,16,30H2,1-3H3InChIKey
SVSSEQBMJZDDSL-UHFFFAOYSA-NSynonyms
2amino4(34dimethoxyphenyl)6((3methoxyphenyl)methyl)55dioxo4Hpyrano(32c)(21)benzothiazine3carbonitrile
2amino4(34dimethoxyphenyl)6(3methoxybenzyl)46dihydropyrano(32c)(21)benzothiazine3carbonitrile55dioxide
COC1=C(C=C(C=C1)C2C(=C(OC3=C2S(=O)(=O)N(C4=CC=CC=C43)CC5=CC(=CC=C5)OC)N)C#N)OC
InChI=1SC28H25N3O6Sc1341986717(1319)1631221054920(22)2627(38(3132)33)25(21(1529)28(30)3726)18111223(352)24(1418)363h41425H1630H213H3
MFCD14914536
ZINC000100032620
ZINC000100032624
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