Vitas-M small molecule compound
2-methylpropyl (2Z)-2-{[(4,4-dioxido-3-phenyl-5,6-dihydro-1,4-oxathiin-2-yl)carbonyl]imino}-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STK652808
SMILES CC(COC(=O)c1s/c(=N\C(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)/[nH]c1C)C
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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 C20H22N2O6S2 MW 450.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O6S2/c1-12(2)11-28-19(24)16-13(3)21-20(29-16)22-18(23)15-17(14-7-5-4-6-8-14)30(25,26)10-9-27-15/h4-8,12H,9-11H2,1-3H3,(H,21,22,23)InChIKey
NEUPKQHTBQQQHS-UHFFFAOYSA-NSynonyms
1144480-38-51144480385
2methylpropyl(2Z)2(((44dioxido3phenyl56dihydro14oxathiin2yl)carbonyl)imino)4methyl23dihydro13thiazole5carboxylate
2methylpropyl2((44dioxo5phenyl23dihydro14oxathiine6carbonyl)amino)4methyl13thiazole5carboxylate
CC(COC(=O)c1sc(=NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)(nH)c1C)C
CC1=C(SC(=N1)NC(=O)C2=C(S(=O)(=O)CCO2)C3=CC=CC=C3)C(=O)OCC(C)C
InChI=1SC20H22N2O6S2c112(2)112819(24)1613(3)2120(2916)2218(23)1517(147546814)30(2526)1092715h4812H911H213H3(H212223)
MFCD18166464
ZINC000031808855
ZINC31808855
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