Vitas-M small molecule compound
(2E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
Catalog ID
STK033515
SMILES N#C/C(=C\c1cc2OCOc2cc1[N+](=O)[O-])/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 C21H16N4O5 MW 404.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O5/c22-10-15(7-14-8-19-20(30-12-29-19)9-18(14)25(27)28)21(26)23-6-5-13-11-24-17-4-2-1-3-16(13)17/h1-4,7-9,11,24H,5-6,12H2,(H,23,26)/b15-7+InChIKey
MCZZVYJNMBIIOL-VIZOYTHASA-NSynonyms
(2E)2CYANON(2(1HINDOL3YL)ETHYL)3(6NITRO13BENZODIOXOL5YL)PROP2ENAMIDE
(E)2CYANON(2(1HINDOL3YL)ETHYL)3(6NITRO13BENZODIOXOL5YL)PROP2ENAMIDE
C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NCCC3=CNC4=CC=CC=C43)(N+)(=O)(O)
InChI=1SC21H16N4O5c221015(71481920(30122919)918(14)25(27)28)21(26)236513112417421316(13)17h14791124H5612H2(H2326)b157+
MFCD03250467
N#CC(=Cc1cc2OCOc2cc1(N+)(=O)(O))C(=O)NCCc1c(nH)c2c1cccc2
STK033515
ZINC000004613795
ZINC04613795
ZINC4613795
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