Vitas-M small molecule compound
(1S,2S,5R)-2-[3-(2-chlorophenyl)-4-(prop-2-en-1-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK775874
SMILES C=CCn1c(nn(c1=S)[C@H]1CC(=O)[C@H]2O[C@@H]1CO2)c1ccccc1Cl
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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 C17H16ClN3O3S MW 377.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClN3O3S/c1-2-7-20-15(10-5-3-4-6-11(10)18)19-21(17(20)25)12-8-13(22)16-23-9-14(12)24-16/h2-6,12,14,16H,1,7-9H2/t12-,14+,16+/m0/s1InChIKey
MXPRLZSQCRUBMN-JGGQBBKZSA-NSynonyms
(1S2S5R)2(3(2chlorophenyl)4(prop2en1yl)5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
(1S2S5R)2(3(2chlorophenyl)4prop2enyl5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4one
C=CCN1C(=NN(C1=S)C2CC(=O)C3OCC2O3)C4=CC=CC=C4Cl
C=CCn1c(nn(c1=S)(C@H)1CC(=O)(C@H)2O(C@@H)1CO2)c1ccccc1Cl
InChI=1SC17H16ClN3O3Sc1272015(10534611(10)18)1921(17(20)25)12813(22)1623914(12)2416h26121416H179H2t1214+16+m0s1
MFCD13372205
ZINC000006667746
ZINC06667746
ZINC6667746
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