Vitas-M small molecule compound
(2E)-2-cyano-N-(2,3-dimethylphenyl)-3-[5-nitro-2-(pyrrolidin-1-yl)phenyl]prop-2-enamide
Catalog ID
STL554020
SMILES N#C/C(=C\c1cc(ccc1N1CCCC1)[N+](=O)[O-])/C(=O)Nc1cccc(c1C)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 C22H22N4O3 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3/c1-15-6-5-7-20(16(15)2)24-22(27)18(14-23)12-17-13-19(26(28)29)8-9-21(17)25-10-3-4-11-25/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,24,27)/b18-12+InChIKey
KXHYKSGUGFZPTI-LDADJPATSA-NSynonyms
(~(E))2cyano~(N)(23dimethylphenyl)3(5nitro2pyrrolidin1ylphenyl)prop2enamide
(2E)2cyanoN(23dimethylphenyl)3(5nitro2(pyrrolidin1yl)phenyl)prop2enamide
27129635
InChI=1SC22H22N4O3c11565720(16(15)2)2422(27)18(1423)12171319(26(28)29)8921(17)2510341125h591213H341011H212H3(H2427)b1812+
MFCD31752014
ZINC000016439324
ZINC16439324
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