Vitas-M small molecule compound
ethyl (2Z)-2-{[(4,4-dioxido-3-phenyl-5,6-dihydro-1,4-oxathiin-2-yl)carbonyl]imino}-2,3-dihydro-1,3-benzothiazole-6-carboxylate
Catalog ID
STK655484
SMILES CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)C1=C(c3ccccc3)S(=O)(=O)CCO1)/[nH]2
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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 C21H18N2O6S2 MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6S2/c1-2-28-20(25)14-8-9-15-16(12-14)30-21(22-15)23-19(24)17-18(13-6-4-3-5-7-13)31(26,27)11-10-29-17/h3-9,12H,2,10-11H2,1H3,(H,22,23,24)InChIKey
FFARWCUUVNIBED-UHFFFAOYSA-NSynonyms
1144482-23-41144482234
CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(S(=O)(=O)CCO3)C4=CC=CC=C4
CCOC(=O)c1ccc2c(c1)sc(=NC(=O)C1=C(c3ccccc3)S(=O)(=O)CCO1)(nH)2
ethyl(2Z)2(((44dioxido3phenyl56dihydro14oxathiin2yl)carbonyl)imino)23dihydro13benzothiazole6carboxylate
ethyl2((44dioxo5phenyl23dihydro14oxathiine6carbonyl)amino)13benzothiazole6carboxylate
InChI=1SC21H18N2O6S2c122820(25)14891516(1214)3021(2215)2319(24)1718(136435713)31(2627)11102917h3912H21011H21H3(H222324)
MFCD18167372
ZINC000031811260
ZINC31811260
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