Vitas-M small molecule compound
methyl 4-{(E)-[1,1-dioxido-4-oxo-2-(propan-2-yl)-2H-1,2-benzothiazin-3(4H)-ylidene]methyl}benzoate
Catalog ID
STL350457
SMILES COC(=O)c1ccc(cc1)/C=C/1\C(=O)c2ccccc2S(=O)(=O)N1C(C)C
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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 C20H19NO5S MW 385.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO5S/c1-13(2)21-17(12-14-8-10-15(11-9-14)20(23)26-3)19(22)16-6-4-5-7-18(16)27(21,24)25/h4-13H,1-3H3/b17-12+InChIKey
PQCGFSAGPAJMLW-SFQUDFHCSA-NSynonyms
929863-88-7(E)methyl4((2isopropyl11dioxido4oxo2Hbenzo(e)(12)thiazin3(4H)ylidene)methyl)benzoate
929863887
CC(C)N1C(=CC2=CC=C(C=C2)C(=O)OC)C(=O)C3=CC=CC=C3S1(=O)=O
COC(=O)c1ccc(cc1)C=C1C(=O)c2ccccc2S(=O)(=O)N1C(C)C
InChI=1SC20H19NO5Sc113(2)2117(121481015(11914)20(23)263)19(22)16645718(16)27(2124)25h413H13H3b1712+
methyl4((E)(114trioxo2propan2yl1$l^(6)2benzothiazin3ylidene)methyl)benzoate
methyl4((E)(11dioxido4oxo2(propan2yl)2H12benzothiazin3(4H)ylidene)methyl)benzoate
MFCD09845977
ZINC000009546936
ZINC09546936
ZINC9546936
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