Vitas-M small molecule compound
(2E)-3-[2-(benzyloxy)-3-methoxyphenyl]-2-cyano-N-(4-methoxy-2-nitrophenyl)prop-2-enamide
Catalog ID
STK003117
SMILES N#C/C(=C\c1cccc(c1OCc1ccccc1)OC)/C(=O)Nc1ccc(cc1[N+](=O)[O-])OC
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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 C25H21N3O6 MW 459.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O6/c1-32-20-11-12-21(22(14-20)28(30)31)27-25(29)19(15-26)13-18-9-6-10-23(33-2)24(18)34-16-17-7-4-3-5-8-17/h3-14H,16H2,1-2H3,(H,27,29)/b19-13+InChIKey
JDGZECQQPWOCLW-CPNJWEJPSA-NSynonyms
731832-18-1(2E)3(2(BENZYLOXY)3METHOXYPHENYL)2CYANON(4METHOXY2NITROPHENYL)PROP2ENAMIDE
(E)2CYANON(4METHOXY2NITROPHENYL)3(3METHOXY2PHENYLMETHOXYPHENYL)PROP2ENAMIDE
731832181
COC1=CC(=C(C=C1)NC(=O)C(=CC2=C(C(=CC=C2)OC)OCC3=CC=CC=C3)C#N)(N+)(=O)(O)
InChI=1SC25H21N3O6c13220111221(22(1420)28(30)31)2725(29)19(1526)1318961023(332)24(18)3416177435817h314H16H212H3(H2729)b1913+
MFCD04055677
N#CC(=Cc1cccc(c1OCc1ccccc1)OC)C(=O)Nc1ccc(cc1(N+)(=O)(O))OC
STK003117
ZINC000008916234
ZINC08916234
ZINC8916234
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