Vitas-M small molecule compound
(1S,2S,5R)-2-[3-(2-chlorophenyl)-4-phenyl-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
STK758870
SMILES O=C1C[C@@H]([C@@H]2O[C@H]1OC2)n1nc(n(c1=S)c1ccccc1)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 C20H16ClN3O3S MW 413.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O3S/c21-14-9-5-4-8-13(14)18-22-24(15-10-16(25)19-26-11-17(15)27-19)20(28)23(18)12-6-2-1-3-7-12/h1-9,15,17,19H,10-11H2/t15-,17+,19+/m0/s1InChIKey
ZLLZATUNNVJFMT-KVSKMBFKSA-NSynonyms
(1R2S5S)2(3(2CHLOROPHENYL)4PHENYL5SULFANYLIDENE124TRIAZOL1YL)68DIOXABICYCLO(321)OCTAN4ONE
(1S2S5R)2(3(2chlorophenyl)4phenyl5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4one
(1S2S5R)2(3(2chlorophenyl)4phenyl5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
C1C(C2COC(C1=O)O2)N3C(=S)N(C(=N3)C4=CC=CC=C4Cl)C5=CC=CC=C5
InChI=1SC20H16ClN3O3Sc2114954813(14)182224(151016(25)19261117(15)2719)20(28)23(18)126213712h19151719H1011H2t1517+19+m0s1
MFCD13372103
O=C1C(C@@H)((C@@H)2O(C@H)1OC2)n1nc(n(c1=S)c1ccccc1)c1ccccc1Cl
ZINC000015188341
ZINC15188341
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