Vitas-M small molecule compound
2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Catalog ID
STK134672
SMILES O=C(CN1C(=O)c2c(S1(=O)=O)cccc2)Nc1sc2c(c1C(=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 C18H16N2O6S2 MW 420.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O6S2/c21-14(9-20-17(22)11-6-2-4-8-13(11)28(20,25)26)19-16-15(18(23)24)10-5-1-3-7-12(10)27-16/h2,4,6,8H,1,3,5,7,9H2,(H,19,21)(H,23,24)InChIKey
OJIPYKKUNJFVGH-UHFFFAOYSA-NSynonyms
701231-70-12(((11dioxido3oxo12benzothiazol2(3H)yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
2((2(113trioxo12benzothiazol2yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylicacid
701231701
C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O)C(=O)O
InChI=1SC18H16N2O6S2c2114(92017(22)11624813(11)28(2025)26)191615(18(23)24)10513712(10)2716h2468H13579H2(H1921)(H2324)
MFCD05987785
ZINC000002847101
ZINC2847101
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