Vitas-M small molecule compound
ethyl 7-fluoro-4-(4-methylphenyl)-6-(piperidin-1-yl)-4H-1,4-benzothiazine-2-carboxylate 1,1-dioxide
Catalog ID
STL133508
SMILES CCOC(=O)C1=CN(c2ccc(cc2)C)c2c(S1(=O)=O)cc(c(c2)N1CCCCC1)F
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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 C23H25FN2O4S MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25FN2O4S/c1-3-30-23(27)22-15-26(17-9-7-16(2)8-10-17)20-14-19(25-11-5-4-6-12-25)18(24)13-21(20)31(22,28)29/h7-10,13-15H,3-6,11-12H2,1-2H3InChIKey
NGKVMTUOEQEMHF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN(C2=C(S1(=O)=O)C=C(C(=C2)N3CCCCC3)F)C4=CC=C(C=C4)C
ethyl7fluoro4(4methylphenyl)11dioxo6piperidin1yl1$l^(6)4benzothiazine2carboxylate
ethyl7fluoro4(4methylphenyl)6(piperidin1yl)4H14benzothiazine2carboxylate11dioxide
InChI=1SC23H25FN2O4Sc133023(27)221526(179716(2)81017)201419(25115461225)18(24)1321(20)31(2228)29h7101315H361112H212H3
MFCD20753716
ZINC000067340731
ZINC67340731
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