Vitas-M small molecule compound

(2E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile

Catalog ID
STK829102
SMILES N#C/C(=C\N1CCN(CC1)Cc1ccc2c(c1)OCO2)/S(=O)(=O)c1ccc(cc1)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 C21H20ClN3O4S MW 445.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O4S/c22-17-2-4-18(5-3-17)30(26,27)19(12-23)14-25-9-7-24(8-10-25)13-16-1-6-20-21(11-16)29-15-28-20/h1-6,11,14H,7-10,13,15H2/b19-14+
InChIKey
CZORKDYGIYFEFG-XMHGGMMESA-N
Synonyms
885187-11-1
(2E)3(4(13benzodioxol5ylmethyl)piperazin1yl)2((4chlorophenyl)sulfonyl)prop2enenitrile
(E)3(4(13benzodioxol5ylmethyl)piperazin1yl)2(4chlorophenyl)sulfonylprop2enenitrile
(E)3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)2((4chlorophenyl)sulfonyl)acrylonitrile
885187111
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C=C(C#N)S(=O)(=O)C4=CC=C(C=C4)Cl
InChI=1SC21H20ClN3O4Sc22172418(5317)30(2627)19(1223)14259724(81025)1316162021(1116)29152820h161114H7101315H2b1914+
MFCD07643078
N#CC(=CN1CCN(CC1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(cc1)Cl
ZINC000020403657
ZINC20403657

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Available files

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