Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(2-methyl-4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenyl acetate
Catalog ID
STL382690
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)C)/C(=O)Nc1ccc(cc1C)[N+](=O)[O-]
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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 C20H17N3O6 MW 395.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O6/c1-12-8-16(23(26)27)5-6-17(12)22-20(25)15(11-21)9-14-4-7-18(29-13(2)24)19(10-14)28-3/h4-10H,1-3H3,(H,22,25)/b15-9+InChIKey
UVTLEXQNJMUUDQ-OQLLNIDSSA-NSynonyms
(4((E)2CYANO3(2METHYL4NITROANILINO)3OXOPROP1ENYL)2METHOXYPHENYL)ACETATE
4((1E)2CYANO2(N(2METHYL4NITROPHENYL)CARBAMOYL)VINYL)2METHOXYPHENYLACETATE
4((1E)2cyano3((2methyl4nitrophenyl)amino)3oxoprop1en1yl)2methoxyphenylacetate
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C)OC)C#N
InChI=1SC20H17N3O6c112816(23(26)27)5617(12)2220(25)15(1121)9144718(2913(2)24)19(1014)283h410H13H3(H2225)b159+
MFCD02731572
N#CC(=Cc1ccc(c(c1)OC)OC(=O)C)C(=O)Nc1ccc(cc1C)(N+)(=O)(O)
ZINC000004953611
ZINC04953611
ZINC4953611
Check stock
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Check stock on Vitas-MAvailable files
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