Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Catalog ID
STK186155
SMILES N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)NCCc1c[nH]c2c1cccc2
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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 C21H17N3O3 MW 359.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O3/c22-11-16(9-14-5-6-19-20(10-14)27-13-26-19)21(25)23-8-7-15-12-24-18-4-2-1-3-17(15)18/h1-6,9-10,12,24H,7-8,13H2,(H,23,25)/b16-9+InChIKey
JAXTYXZVQMPHPD-CXUHLZMHSA-NSynonyms
(2E)3(13BENZODIOXOL5YL)2CYANON(2(1HINDOL3YL)ETHYL)PROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)2CYANON(2(1HINDOL3YL)ETHYL)PROP2ENAMIDE
(Z)N(2(1Hindol3yl)ethyl)3(benzo(d)(13)dioxol5yl)2cyanoacrylamide
C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)NCCC3=CNC4=CC=CC=C43
InChI=1SC21H17N3O3c221116(914561920(1014)27132619)21(25)238715122418421317(15)18h169101224H7813H2(H2325)b169+
MFCD02602883
N#CC(=Cc1ccc2c(c1)OCO2)C(=O)NCCc1c(nH)c2c1cccc2
ZINC000000874185
ZINC00874185
ZINC874185
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