Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoic acid
Catalog ID
STK530641
SMILES OC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1
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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 C17H13NO5 MW 311.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13NO5/c19-16(12-4-2-1-3-5-12)18-13(17(20)21)8-11-6-7-14-15(9-11)23-10-22-14/h1-9H,10H2,(H,18,19)(H,20,21)/b13-8+InChIKey
XXTGKIRVFYJOKQ-MDWZMJQESA-NSynonyms
(2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoicacid
(2E)3(2HBENZO(34D)13DIOXOLEN5YL)2(PHENYLCARBONYLAMINO)PROP2ENOICACID
(E)2BENZAMIDO3(13BENZODIOXOL5YL)PROP2ENOICACID
(E)2benzamido3(benzo(d)(13)dioxol5yl)acrylicacid
3(13BENZODIOXOL5YL)2(BENZOYLAMINO)ACRYLICACID
3BENZO(13)DIOXOL5YL2BENZOYLAMINOACRYLICACID
ALPHABENZAMIDO34METHYLENEDIOXYCINNAMICACID
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)O)NC(=O)C3=CC=CC=C3
InChI=1SC17H13NO5c1916(124213512)1813(17(20)21)811671415(911)23102214h19H10H2(H1819)(H2021)b138+
MFCD00699014
OC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1
ZINC000000072021
ZINC72021
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