Vitas-M small molecule compound

(2E)-2-cyano-N-(3,4-dimethylphenyl)-3-[4-(morpholin-4-yl)-3-nitrophenyl]prop-2-enamide

Catalog ID
STL416412
SMILES N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)/C(=O)Nc1ccc(c(c1)C)C

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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 C22H22N4O4 MW 406.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4/c1-15-3-5-19(11-16(15)2)24-22(27)18(14-23)12-17-4-6-20(21(13-17)26(28)29)25-7-9-30-10-8-25/h3-6,11-13H,7-10H2,1-2H3,(H,24,27)/b18-12+
InChIKey
LUXQUXNOQWDXCQ-LDADJPATSA-N
Synonyms

(2E)2cyanoN(34dimethylphenyl)3(4(morpholin4yl)3nitrophenyl)prop2enamide
(E)2CYANON(34DIMETHYLPHENYL)3(4MORPHOLIN4YL3NITROPHENYL)PROP2ENAMIDE
CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)N3CCOCC3)(N+)(=O)(O))C#N)C
InChI=1SC22H22N4O4c1153519(1116(15)2)2422(27)18(1423)12174620(21(1317)26(28)29)25793010825h361113H710H212H3(H2427)b1812+
MFCD06668636
N#CC(=Cc1ccc(c(c1)(N+)(=O)(O))N1CCOCC1)C(=O)Nc1ccc(c(c1)C)C
ZINC000015227680
ZINC15227680

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Available files

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