Vitas-M small molecule compound
(2E)-3-{3-bromo-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Catalog ID
STK183800
SMILES N#C/C(=C\c1ccc(c(c1)Br)OCc1ccc(cc1)[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 C27H21BrN4O4 MW 545.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrN4O4/c28-24-14-19(7-10-26(24)36-17-18-5-8-22(9-6-18)32(34)35)13-21(15-29)27(33)30-12-11-20-16-31-25-4-2-1-3-23(20)25/h1-10,13-14,16,31H,11-12,17H2,(H,30,33)/b21-13+InChIKey
JCIYEWZKVQCWMB-FYJGNVAPSA-NSynonyms
(2E)3(3BROMO4((4NITROBENZYL)OXY)PHENYL)2CYANON(2(1HINDOL3YL)ETHYL)PROP2ENAMIDE
(E)3(3BROMO4((4NITROPHENYL)METHOXY)PHENYL)2CYANON(2(1HINDOL3YL)ETHYL)PROP2ENAMIDE
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)(N+)(=O)(O))Br)C#N
InChI=1SC27H21BrN4O4c28241419(71026(24)3617185822(9618)32(34)35)1321(1529)27(33)30121120163125421323(20)25h11013141631H111217H2(H3033)b2113+
MFCD06150770
N#CC(=Cc1ccc(c(c1)Br)OCc1ccc(cc1)(N+)(=O)(O))C(=O)NCCc1c(nH)c2c1cccc2
ZINC000100224303
ZINC100224303
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