Vitas-M small molecule compound
2-amino-4-(4-ethoxyphenyl)-6-(3-methylbenzyl)-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-3-carbonitrile 5,5-dioxide
Catalog ID
STL081753
SMILES CCOc1ccc(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 C28H25N3O4S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4S/c1-3-34-21-13-11-20(12-14-21)25-23(16-29)28(30)35-26-22-9-4-5-10-24(22)31(36(32,33)27(25)26)17-19-8-6-7-18(2)15-19/h4-15,25H,3,17,30H2,1-2H3InChIKey
IFPNGEVBOUZQHZ-UHFFFAOYSA-NSynonyms
2amino4(4ethoxyphenyl)6((3methylphenyl)methyl)55dioxo4Hpyrano(32c)(21)benzothiazine3carbonitrile
2amino4(4ethoxyphenyl)6(3methylbenzyl)46dihydropyrano(32c)(21)benzothiazine3carbonitrile55dioxide
CCOC1=CC=C(C=C1)C2C(=C(OC3=C2S(=O)(=O)N(C4=CC=CC=C43)CC5=CC=CC(=C5)C)N)C#N
InChI=1SC28H25N3O4Sc133421131120(121421)2523(1629)28(30)3526229451024(22)31(36(3233)27(25)26)171986718(2)1519h41525H31730H212H3
MFCD14914505
ZINC000020558657
ZINC000020558659
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