Vitas-M small molecule compound
3-{(1E)-2-cyano-3-[(2-methoxy-4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl naphthalene-1-carboxylate
Catalog ID
STK522798
SMILES N#C/C(=C\c1cccc(c1)OC(=O)c1cccc2c1cccc2)/C(=O)Nc1ccc(cc1OC)[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/c1-36-26-16-21(31(34)35)12-13-25(26)30-27(32)20(17-29)14-18-6-4-9-22(15-18)37-28(33)24-11-5-8-19-7-2-3-10-23(19)24/h2-16H,1H3,(H,30,32)/b20-14+InChIKey
ZTFAHPBCAFOCBL-XSFVSMFZSA-NSynonyms
(3((E)2CYANO3(2METHOXY4NITROANILINO)3OXOPROP1ENYL)PHENYL)NAPHTHALENE1CARBOXYLATE
3((1E)2cyano3((2methoxy4nitrophenyl)amino)3oxoprop1en1yl)phenylnaphthalene1carboxylate
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=CC4=CC=CC=C43)C#N
InChI=1SC28H19N3O6c136261621(31(34)35)121325(26)3027(32)20(1729)141864922(1518)3728(33)241158197231023(19)24h216H1H3(H3032)b2014+
MFCD03158075
N#CC(=Cc1cccc(c1)OC(=O)c1cccc2c1cccc2)C(=O)Nc1ccc(cc1OC)(N+)(=O)(O)
ZINC000012590296
ZINC12590296
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