Vitas-M small molecule compound
(2E)-3-(2-butoxyphenyl)-2-cyano-N-(2-methyl-5-nitrophenyl)prop-2-enamide
Catalog ID
STL383370
SMILES CCCCOc1ccccc1/C=C(/C(=O)Nc1cc(ccc1C)[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/c1-3-4-11-28-20-8-6-5-7-16(20)12-17(14-22)21(25)23-19-13-18(24(26)27)10-9-15(19)2/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)/b17-12+InChIKey
KNFIVRXRXLNYLX-SFQUDFHCSA-NSynonyms
402721-67-9(2E)3(2butoxyphenyl)2cyanoN(2methyl5nitrophenyl)prop2enamide
(E)3(2BUTOXYPHENYL)2CYANON(2METHYL5NITROPHENYL)PROP2ENAMIDE
402721679
CCCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C=CC(=C2)(N+)(=O)(O))C
CCCCOc1ccccc1C=C(C(=O)Nc1cc(ccc1C)(N+)(=O)(O))C#N
InChI=1SC21H21N3O4c134112820865716(20)1217(1422)21(25)23191318(24(26)27)10915(19)2h5101213H3411H212H3(H2325)b1712+
MFCD03217408
ZINC000002807735
ZINC02807735
ZINC2807735
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