Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(2-methoxy-5-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl naphthalene-1-carboxylate
Catalog ID
STK008687
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1cccc2c1cccc2)/C(=O)Nc1cc(ccc1OC)[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 C28H19N3O6 MW 493.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19N3O6/c1-36-26-14-11-21(31(34)35)16-25(26)30-27(32)20(17-29)15-18-9-12-22(13-10-18)37-28(33)24-8-4-6-19-5-2-3-7-23(19)24/h2-16H,1H3,(H,30,32)/b20-15+InChIKey
MWQLTYXHODJZSB-HMMYKYKNSA-NSynonyms
(4((E)2CYANO3(2METHOXY5NITROANILINO)3OXOPROP1ENYL)PHENYL)NAPHTHALENE1CARBOXYLATE
4((1E)2CYANO3((2METHOXY5NITROPHENYL)AMINO)3OXOPROP1EN1YL)PHENYLNAPHTHALENE1CARBOXYLATE
COC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC4=CC=CC=C43)C#N
InChI=1SC28H19N3O6c13626141121(31(34)35)1625(26)3027(32)20(1729)151891222(131018)3728(33)2484619523723(19)24h216H1H3(H3032)b2015+
MFCD03205869
N#CC(=Cc1ccc(cc1)OC(=O)c1cccc2c1cccc2)C(=O)Nc1cc(ccc1OC)(N+)(=O)(O)
STK008687
ZINC000008958812
ZINC08958812
ZINC8958812
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