Vitas-M small molecule compound

(2E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide

Catalog ID
STK829073
SMILES N#C/C(=C\N1CCN(CC1)Cc1ccc2c(c1)OCO2)/C(=O)Nc1ccc(cc1)F

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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 C22H21FN4O3 MW 408.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN4O3/c23-18-2-4-19(5-3-18)25-22(28)17(12-24)14-27-9-7-26(8-10-27)13-16-1-6-20-21(11-16)30-15-29-20/h1-6,11,14H,7-10,13,15H2,(H,25,28)/b17-14+
InChIKey
NYAIZXOJZOQHCA-SAPNQHFASA-N
Synonyms
885181-92-0
(2E)3(4(13benzodioxol5ylmethyl)piperazin1yl)2cyanoN(4fluorophenyl)prop2enamide
(E)3(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)2CYANON(4FLUOROPHENYL)PROP2ENAMIDE
(E)3(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)2cyanoN(4fluorophenyl)acrylamide
885181920
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C=C(C#N)C(=O)NC4=CC=C(C=C4)F
InChI=1SC22H21FN4O3c23182419(5318)2522(28)17(1224)14279726(81027)1316162021(1116)30152920h161114H7101315H2(H2528)b1714+
MFCD08166859
N#CC(=CN1CCN(CC1)Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(cc1)F
ZINC000020403636
ZINC20403636

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Available files

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