Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(2-methoxy-4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenyl naphthalene-1-carboxylate
Catalog ID
STK522800
SMILES N#C/C(=C\c1ccc(c(c1)OC)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 C29H21N3O7 MW 523.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O7/c1-37-26-16-21(32(35)36)11-12-24(26)31-28(33)20(17-30)14-18-10-13-25(27(15-18)38-2)39-29(34)23-9-5-7-19-6-3-4-8-22(19)23/h3-16H,1-2H3,(H,31,33)/b20-14+InChIKey
KXWXUSMOKBPSGL-XSFVSMFZSA-NSynonyms
(4((E)2CYANO3(2METHOXY4NITROANILINO)3OXOPROP1ENYL)2METHOXYPHENYL)NAPHTHALENE1CARBOXYLATE
4((1E)2cyano3((2methoxy4nitrophenyl)amino)3oxoprop1en1yl)2methoxyphenylnaphthalene1carboxylate
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))OC)OC(=O)C3=CC=CC4=CC=CC=C43
InChI=1SC29H21N3O7c137261621(32(35)36)111224(26)3128(33)20(1730)1418101325(27(1518)382)3929(34)2395719634822(19)23h316H12H3(H3133)b2014+
MFCD03155021
N#CC(=Cc1ccc(c(c1)OC)OC(=O)c1cccc2c1cccc2)C(=O)Nc1ccc(cc1OC)(N+)(=O)(O)
ZINC000100135470
ZINC100135470
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