Vitas-M small molecule compound
ethyl 4-{[4-hydroxy-1,1-dioxido-2-(pyridin-3-ylmethyl)-3,4-dihydro-2H-1,2-benzothiazin-3-yl]methyl}benzoate
Catalog ID
STK626581
SMILES CCOC(=O)c1ccc(cc1)CC1C(O)c2ccccc2S(=O)(=O)N1Cc1cccnc1
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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 C24H24N2O5S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N2O5S/c1-2-31-24(28)19-11-9-17(10-12-19)14-21-23(27)20-7-3-4-8-22(20)32(29,30)26(21)16-18-6-5-13-25-15-18/h3-13,15,21,23,27H,2,14,16H2,1H3InChIKey
CQEKESSLYCJZAG-UHFFFAOYSA-NSynonyms
951936-82-6951936826
CCOC(=O)C1=CC=C(C=C1)CC2C(C3=CC=CC=C3S(=O)(=O)N2CC4=CN=CC=C4)O
ethyl4((4hydroxy11dioxido2(pyridin3ylmethyl)34dihydro2H12benzothiazin3yl)methyl)benzoate
ethyl4((4hydroxy11dioxido2(pyridin3ylmethyl)34dihydro2Hbenzo(e)(12)thiazin3yl)methyl)benzoate
ethyl4((4hydroxy11dioxo2(pyridin3ylmethyl)34dihydro1$l^(6)2benzothiazin3yl)methyl)benzoate
InChI=1SC24H24N2O5Sc123124(28)1911917(101219)142123(27)20734822(20)32(2930)26(21)16186513251518h31315212327H21416H21H3
MFCD09856524
ZINC000013726794
ZINC000013726802
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