Vitas-M small molecule compound
2-[(3aR,6aS)-3-(2,4-dichlorophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK598972
SMILES N#Cc1c(sc2c1CCCC2)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(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 C20H13Cl2N3O3S MW 446.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13Cl2N3O3S/c21-9-5-6-11(13(22)7-9)16-15-17(28-24-16)19(27)25(18(15)26)20-12(8-23)10-3-1-2-4-14(10)29-20/h5-7,15,17H,1-4H2/t15-,17+/m1/s1InChIKey
XTLVFSYTVGOAPD-WBVHZDCISA-NSynonyms
1212296-44-01212296440
2((3aR6aS)3(24dichlorophenyl)46dioxo3a466atetrahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
2((3aR6aS)3(24dichlorophenyl)46dioxo3a6adihydropyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carbonitrile
2((3aR6aS)3(24dichlorophenyl)46dioxo66adihydro3aHpyrrolo(34d)isoxazol5(4H)yl)4567tetrahydrobenzo(b)thiophene3carbonitrile
C1CCC2=C(C1)C(=C(S2)N3C(=O)C4C(C3=O)ON=C4C5=C(C=C(C=C5)Cl)Cl)C#N
InChI=1SC20H13Cl2N3O3Sc2195611(13(22)79)161517(282416)19(27)25(18(15)26)2012(823)10312414(10)2920h571517H14H2t1517+m1s1
MFCD18246107
N#Cc1c(sc2c1CCCC2)N1C(=O)(C@@H)2(C@H)(C1=O)C(=NO2)c1ccc(cc1Cl)Cl
ZINC000101278912
ZINC101278912
Check stock
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Check stock on Vitas-MAvailable files
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