Vitas-M small molecule compound
beta-hydroxy-N-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-3-nitrophenylalanine
Catalog ID
STK600818
SMILES COc1cc(/C=C/C(=O)NC(C(c2cccc(c2)[N+](=O)[O-])O)C(=O)O)ccc1O
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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 C19H18N2O8 MW 402.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O8/c1-29-15-9-11(5-7-14(15)22)6-8-16(23)20-17(19(25)26)18(24)12-3-2-4-13(10-12)21(27)28/h2-10,17-18,22,24H,1H3,(H,20,23)(H,25,26)/b8-6+InChIKey
FMHGCRUGDMNGPT-SOFGYWHQSA-NSynonyms
(E)3hydroxy2(3(4hydroxy3methoxyphenyl)acrylamido)3(3nitrophenyl)propanoicacid
3hydroxy2(((E)3(4hydroxy3methoxyphenyl)prop2enoyl)amino)3(3nitrophenyl)propanoicacid
betahydroxyN((2E)3(4hydroxy3methoxyphenyl)prop2enoyl)3nitrophenylalanine
COC1=C(C=CC(=C1)C=CC(=O)NC(C(C2=CC(=CC=C2)(N+)(=O)(O))O)C(=O)O)O
COc1cc(C=CC(=O)NC(C(c2cccc(c2)(N+)(=O)(O))O)C(=O)O)ccc1O
InChI=1SC19H18N2O8c12915911(5714(15)22)6816(23)2017(19(25)26)18(24)1232413(1012)21(27)28h21017182224H1H3(H2023)(H2526)b86+
MFCD07642290
ZINC000005484141
ZINC000005484153
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