Vitas-M small molecule compound
(1R,2R,5S)-2-(3-{[2-(2,4-dichlorobenzyl)-2H-tetrazol-5-yl]methyl}-4-methyl-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
STK783219
SMILES O=C1C[C@H]([C@H]2O[C@@H]1OC2)n1nc(n(c1=S)C)Cc1nnn(n1)Cc1ccc(cc1Cl)Cl
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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 C18H17Cl2N7O3S MW 482.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17Cl2N7O3S/c1-25-16(23-27(18(25)31)12-5-13(28)17-29-8-14(12)30-17)6-15-21-24-26(22-15)7-9-2-3-10(19)4-11(9)20/h2-4,12,14,17H,5-8H2,1H3/t12-,14+,17+/m1/s1InChIKey
PQRJWRPBBAWIQP-IFIJOSMWSA-NSynonyms
(1R2R5S)2(3((2((24dichlorophenyl)methyl)tetrazol5yl)methyl)4methyl5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4one
(1R2R5S)2(3((2(24dichlorobenzyl)2Htetrazol5yl)methyl)4methyl5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
CN1C(=NN(C1=S)C2CC(=O)C3OCC2O3)CC4=NN(N=N4)CC5=C(C=C(C=C5)Cl)Cl
InChI=1SC18H17Cl2N7O3Sc12516(2327(18(25)31)12513(28)1729814(12)3017)615212426(2215)792310(19)411(9)20h24121417H58H21H3t1214+17+m1s1
MFCD13372237
O=C1C(C@H)((C@H)2O(C@@H)1OC2)n1nc(n(c1=S)C)Cc1nnn(n1)Cc1ccc(cc1Cl)Cl
ZINC000012427796
ZINC12427796
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