Vitas-M small molecule compound
(2E)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(3,4-dimethylphenyl)sulfonyl]prop-2-enenitrile
Catalog ID
STK829086
SMILES N#C/C(=C\N1CCN(CC1)c1cccc(c1)Cl)/S(=O)(=O)c1ccc(c(c1)C)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 C21H22ClN3O2S MW 415.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O2S/c1-16-6-7-20(12-17(16)2)28(26,27)21(14-23)15-24-8-10-25(11-9-24)19-5-3-4-18(22)13-19/h3-7,12-13,15H,8-11H2,1-2H3/b21-15+InChIKey
MORKGPWKHCLPIG-RCCKNPSSSA-NSynonyms
885185-93-3(2E)3(4(3chlorophenyl)piperazin1yl)2((34dimethylphenyl)sulfonyl)prop2enenitrile
(E)3(4(3chlorophenyl)piperazin1yl)2((34dimethylphenyl)sulfonyl)acrylonitrile
(E)3(4(3CHLOROPHENYL)PIPERAZIN1YL)2(34DIMETHYLPHENYL)SULFONYLPROP2ENENITRILE
885185933
CC1=C(C=C(C=C1)S(=O)(=O)C(=CN2CCN(CC2)C3=CC(=CC=C3)Cl)C#N)C
InChI=1SC21H22ClN3O2Sc1166720(1217(16)2)28(2627)21(1423)152481025(11924)1953418(22)1319h37121315H811H212H3b2115+
MFCD07643151
N#CC(=CN1CCN(CC1)c1cccc(c1)Cl)S(=O)(=O)c1ccc(c(c1)C)C
ZINC000005489487
ZINC05489487
ZINC5489487
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