Vitas-M small molecule compound

(2E)-2-[(3,4-dimethylphenyl)sulfonyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-enenitrile

Catalog ID
STK829090
SMILES N#C/C(=C\N1CCN(CC1)c1ccc(cc1)F)/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 C21H22FN3O2S MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN3O2S/c1-16-3-8-20(13-17(16)2)28(26,27)21(14-23)15-24-9-11-25(12-10-24)19-6-4-18(22)5-7-19/h3-8,13,15H,9-12H2,1-2H3/b21-15+
InChIKey
WRMGGFOUAAYLLW-RCCKNPSSSA-N
Synonyms
885186-22-1
(2E)2((34dimethylphenyl)sulfonyl)3(4(4fluorophenyl)piperazin1yl)prop2enenitrile
(E)2((34dimethylphenyl)sulfonyl)3(4(4fluorophenyl)piperazin1yl)acrylonitrile
(E)2(34DIMETHYLPHENYL)SULFONYL3(4(4FLUOROPHENYL)PIPERAZIN1YL)PROP2ENENITRILE
885186221
CC1=C(C=C(C=C1)S(=O)(=O)C(=CN2CCN(CC2)C3=CC=C(C=C3)F)C#N)C
InChI=1SC21H22FN3O2Sc1163820(1317(16)2)28(2627)21(1423)152491125(121024)196418(22)5719h381315H912H212H3b2115+
MFCD07643149
N#CC(=CN1CCN(CC1)c1ccc(cc1)F)S(=O)(=O)c1ccc(c(c1)C)C
ZINC000005489483
ZINC05489483
ZINC5489483

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Available files

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