Vitas-M small molecule compound
(2E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(phenylsulfonyl)prop-2-enenitrile
Catalog ID
STK829080
SMILES N#C/C(=C\N1CCN(CC1)Cc1ccc2c(c1)OCO2)/S(=O)(=O)c1ccccc1
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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 C21H21N3O4S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S/c22-13-19(29(25,26)18-4-2-1-3-5-18)15-24-10-8-23(9-11-24)14-17-6-7-20-21(12-17)28-16-27-20/h1-7,12,15H,8-11,14,16H2/b19-15+InChIKey
PTJNRMDDLYDTHP-XDJHFCHBSA-NSynonyms
885185-51-3(2E)3(4(13benzodioxol5ylmethyl)piperazin1yl)2(phenylsulfonyl)prop2enenitrile
(E)2(BENZENESULFONYL)3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)PROP2ENENITRILE
(E)3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)2(phenylsulfonyl)acrylonitrile
885185513
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C=C(C#N)S(=O)(=O)C4=CC=CC=C4
InChI=1SC21H21N3O4Sc221319(29(2526)184213518)152410823(91124)1417672021(1217)28162720h171215H8111416H2b1915+
MFCD08166875
N#CC(=CN1CCN(CC1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1
ZINC000020403643
ZINC20403643
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