Vitas-M small molecule compound

(2E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[1-(4-fluorobenzyl)-1H-indol-3-yl]prop-2-enamide

Catalog ID
STK409578
SMILES N#C/C(=C\c1cn(c2c1cccc2)Cc1ccc(cc1)F)/C(=O)NCc1ccc2c(c1)OCO2

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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 C27H20FN3O3 MW 453.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20FN3O3/c28-22-8-5-18(6-9-22)15-31-16-21(23-3-1-2-4-24(23)31)12-20(13-29)27(32)30-14-19-7-10-25-26(11-19)34-17-33-25/h1-12,16H,14-15,17H2,(H,30,32)/b20-12+
InChIKey
RXRRSGSCLUECNI-UDWIEESQSA-N
Synonyms

(2E)N(13benzodioxol5ylmethyl)2cyano3(1(4fluorobenzyl)1Hindol3yl)prop2enamide
(E)N(13BENZODIOXOL5YLMETHYL)2CYANO3(1((4FLUOROPHENYL)METHYL)INDOL3YL)PROP2ENAMIDE
C1OC2=C(O1)C=C(C=C2)CNC(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C#N
InChI=1SC27H20FN3O3c28228518(6922)15311621(23312424(23)31)1220(1329)27(32)3014197102526(1119)34173325h11216H141517H2(H3032)b2012+
MFCD03214516
N#CC(=Cc1cn(c2c1cccc2)Cc1ccc(cc1)F)C(=O)NCc1ccc2c(c1)OCO2
ZINC000020533886
ZINC20533886

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Available files

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