Vitas-M small molecule compound
ethyl 2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK133626
SMILES CCOC(=O)c1c(NC(=O)CN2C(=O)c3c(S2(=O)=O)cccc3)sc2c1CCCC2
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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 C20H20N2O6S2 MW 448.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O6S2/c1-2-28-20(25)17-12-7-3-5-9-14(12)29-18(17)21-16(23)11-22-19(24)13-8-4-6-10-15(13)30(22,26)27/h4,6,8,10H,2-3,5,7,9,11H2,1H3,(H,21,23)InChIKey
GCYKCDUVYWTTJG-UHFFFAOYSA-NSynonyms
678985-30-3678985303
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O
ethyl2(((11dioxido3oxo12benzothiazol2(3H)yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(113trioxo12benzothiazol2yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(11dioxido3oxobenzo(d)isothiazol2(3H)yl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC20H20N2O6S2c122820(25)1712735914(12)2918(17)2116(23)112219(24)138461015(13)30(2226)27h46810H2357911H21H3(H2123)
MFCD04011661
ZINC000001101118
ZINC01101118
ZINC1101118
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