Vitas-M small molecule compound
(2E)-2-cyano-N-(3-nitrophenyl)-3-[4-(pentyloxy)phenyl]prop-2-enamide
Catalog ID
STK952504
SMILES CCCCCOc1ccc(cc1)/C=C(/C(=O)Nc1cccc(c1)[N+](=O)[O-])\C#N
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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 C21H21N3O4 MW 379.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4/c1-2-3-4-12-28-20-10-8-16(9-11-20)13-17(15-22)21(25)23-18-6-5-7-19(14-18)24(26)27/h5-11,13-14H,2-4,12H2,1H3,(H,23,25)/b17-13+InChIKey
PBABYNRGQWWYLM-GHRIWEEISA-NSynonyms
(2E)2cyanoN(3nitrophenyl)3(4(pentyloxy)phenyl)prop2enamide
(2E)2CYANON(3NITROPHENYL)3(4PENTYLOXYPHENYL)PROP2ENAMIDE
(E)2CYANON(3NITROPHENYL)3(4PENTOXYPHENYL)PROP2ENAMIDE
(Z)2cyanoN(3nitrophenyl)3(4(pentyloxy)phenyl)acrylamide
CCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)(N+)(=O)(O)
CCCCCOc1ccc(cc1)C=C(C(=O)Nc1cccc(c1)(N+)(=O)(O))C#N
InChI=1SC21H21N3O4c123412282010816(91120)1317(1522)21(25)231865719(1418)24(26)27h5111314H2412H21H3(H2325)b1713+
MFCD02327922
ZINC000002278596
ZINC02278596
ZINC2278596
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