Vitas-M small molecule compound
N-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}phenylalanine
Catalog ID
STK530950
SMILES O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)NC(C(=O)O)Cc1ccccc1
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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 C26H22N2O6 MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O6/c29-24(19-9-5-2-6-10-19)27-20(14-18-11-12-22-23(15-18)34-16-33-22)25(30)28-21(26(31)32)13-17-7-3-1-4-8-17/h1-12,14-15,21H,13,16H2,(H,27,29)(H,28,30)(H,31,32)/b20-14+InChIKey
NBJDZVUCKQAJHG-XSFVSMFZSA-NSynonyms
(E)2(2benzamido3(benzo(d)(13)dioxol5yl)acrylamido)3phenylpropanoicacid
2(((E)2BENZAMIDO3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)3PHENYLPROPANOICACID
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C4=CC=CC=C4
InChI=1SC26H22N2O6c2924(1995261019)2720(141811122223(1518)34163322)25(30)2821(26(31)32)13177314817h112141521H1316H2(H2729)(H2830)(H3132)b2014+
MFCD00699016
N((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)phenylalanine
O=C(C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1)NC(C(=O)O)Cc1ccccc1
ZINC000013784765
ZINC000013784767
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