Vitas-M small molecule compound
ethyl (2E)-2-{[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)propanoyl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL249048
SMILES CCOC(=O)c1s/c(=N/C(=O)CCN2C(=O)c3c(S2(=O)=O)cccc3)/[nH]c1C
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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 C17H17N3O6S2 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O6S2/c1-3-26-16(23)14-10(2)18-17(27-14)19-13(21)8-9-20-15(22)11-6-4-5-7-12(11)28(20,24)25/h4-7H,3,8-9H2,1-2H3,(H,18,19,21)InChIKey
NWLNXSYVJHNOPF-UHFFFAOYSA-NSynonyms
1374538-48-31374538483
CCOC(=O)C1=C(N=C(S1)NC(=O)CCN2C(=O)C3=CC=CC=C3S2(=O)=O)C
CCOC(=O)c1sc(=NC(=O)CCN2C(=O)c3c(S2(=O)=O)cccc3)(nH)c1C
ethyl(2E)2((3(11dioxido3oxo12benzothiazol2(3H)yl)propanoyl)imino)4methyl23dihydro13thiazole5carboxylate
ethyl4methyl2(3(113trioxo12benzothiazol2yl)propanoylamino)13thiazole5carboxylate
InChI=1SC17H17N3O6S2c132616(23)1410(2)1817(2714)1913(21)892015(22)11645712(11)28(2024)25h47H389H212H3(H181921)
MFCD24861405
ZINC000072405220
ZINC72405220
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