Vitas-M small molecule compound
N-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(furan-2-ylcarbonyl)amino]prop-2-enoyl}-beta-alanine
Catalog ID
STL304807
SMILES OC(=O)CCNC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccco1
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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 C18H16N2O7 MW 372.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O7/c21-16(22)5-6-19-17(23)12(20-18(24)14-2-1-7-25-14)8-11-3-4-13-15(9-11)27-10-26-13/h1-4,7-9H,5-6,10H2,(H,19,23)(H,20,24)(H,21,22)/b12-8+InChIKey
XJVSHEQNOGTBED-XYOKQWHBSA-NSynonyms
332107-25-2(E)3(3(benzo(d)(13)dioxol5yl)2(furan2carboxamido)acrylamido)propanoicacid
3(((E)3(13BENZODIOXOL5YL)2(FURAN2CARBONYLAMINO)PROP2ENOYL)AMINO)PROPANOICACID
332107252
C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCC(=O)O)NC(=O)C3=CC=CO3
InChI=1SC18H16N2O7c2116(22)561917(23)12(2018(24)142172514)811341315(911)27102613h1479H5610H2(H1923)(H2024)(H2122)b128+
MFCD01878775
N((2E)3(13benzodioxol5yl)2((furan2ylcarbonyl)amino)prop2enoyl)betaalanine
OC(=O)CCNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccco1
ZINC000002127048
ZINC2127048
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