Vitas-M small molecule compound
(2E)-2-cyano-3-{2,5-dimethyl-1-[4-(4-nitrophenoxy)phenyl]-1H-pyrrol-3-yl}prop-2-enamide
Catalog ID
STL367463
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-])C)/C(=O)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 C22H18N4O4 MW 402.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4/c1-14-11-16(12-17(13-23)22(24)27)15(2)25(14)18-3-7-20(8-4-18)30-21-9-5-19(6-10-21)26(28)29/h3-12H,1-2H3,(H2,24,27)/b17-12+InChIKey
FEDIVLYSWPTNDY-SFQUDFHCSA-NSynonyms
(2E)2cyano3(25dimethyl1(4(4nitrophenoxy)phenyl)1Hpyrrol3yl)prop2enamide
(E)2cyano3(25dimethyl1(4(4nitrophenoxy)phenyl)pyrrol3yl)prop2enamide
CC1=CC(=C(N1C2=CC=C(C=C2)OC3=CC=C(C=C3)(N+)(=O)(O))C)C=C(C#N)C(=O)N
InChI=1SC22H18N4O4c1141116(1217(1323)22(24)27)15(2)25(14)183720(8418)30219519(61021)26(28)29h312H12H3(H22427)b1712+
MFCD28951810
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)Oc1ccc(cc1)(N+)(=O)(O))C)C(=O)N
ZINC000098086283
ZINC98086283
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