Vitas-M small molecule compound
butyl 4-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}benzoate
Catalog ID
STL286884
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)CN1C(=O)c2c(S1(=O)=O)cccc2
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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 C20H20N2O6S MW 416.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O6S/c1-2-3-12-28-20(25)14-8-10-15(11-9-14)21-18(23)13-22-19(24)16-6-4-5-7-17(16)29(22,26)27/h4-11H,2-3,12-13H2,1H3,(H,21,23)InChIKey
FQFYIEXWABJJKN-UHFFFAOYSA-NSynonyms
443108-51-8443108518
butyl4(((11dioxido3oxo12benzothiazol2(3H)yl)acetyl)amino)benzoate
BUTYL4((2(113TRIOXO12BENZOTHIAZOL2YL)ACETYL)AMINO)BENZOATE
BUTYL4(2(113TRIOXO2HYDROBENZO(D)ISOTHIAZOL2YL)ACETYLAMINO)BENZOATE
BUTYL4(2(11DIOXIDO3OXOBENZO(D)ISOTHIAZOL2(3H)YL)ACETAMIDO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O
InChI=1SC20H20N2O6Sc123122820(25)1481015(11914)2118(23)132219(24)16645717(16)29(2226)27h411H231213H21H3(H2123)
MFCD04084591
ZINC000003620211
ZINC03620211
ZINC3620211
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