Vitas-M small molecule compound
(2E)-N-(3-chloro-4-methylphenyl)-2-cyano-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enamide
Catalog ID
STK506400
SMILES N#C/C(=C\c1ccc(o1)c1cc(ccc1C)[N+](=O)[O-])/C(=O)Nc1ccc(c(c1)Cl)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 C22H16ClN3O4 MW 421.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O4/c1-13-4-6-17(26(28)29)11-19(13)21-8-7-18(30-21)9-15(12-24)22(27)25-16-5-3-14(2)20(23)10-16/h3-11H,1-2H3,(H,25,27)/b15-9+InChIKey
AGYDWNSQNPBYQR-OQLLNIDSSA-NSynonyms
(2E)N(3CHLORO4METHYLPHENYL)2CYANO3(5(2METHYL5NITROPHENYL)(2FURYL))PROP2ENAMIDE
(2E)N(3chloro4methylphenyl)2cyano3(5(2methyl5nitrophenyl)furan2yl)prop2enamide
(E)N(3CHLORO4METHYLPHENYL)2CYANO3(5(2METHYL5NITROPHENYL)FURAN2YL)PROP2ENAMIDE
CC1=C(C=C(C=C1)(N+)(=O)(O))C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC(=C(C=C3)C)Cl
InChI=1SC22H16ClN3O4c1134617(26(28)29)1119(13)218718(3021)915(1224)22(27)25165314(2)20(23)1016h311H12H3(H2527)b159+
MFCD03158545
N#CC(=Cc1ccc(o1)c1cc(ccc1C)(N+)(=O)(O))C(=O)Nc1ccc(c(c1)Cl)C
ZINC000001082947
ZINC01082947
ZINC1082947
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