Vitas-M small molecule compound
N-[(2E)-2-(acetylamino)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-beta-alanine
Catalog ID
STL512554
SMILES CC(=O)N/C(=C/c1ccc2c(c1)OCO2)/C(=O)NCCC(=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 C15H16N2O6 MW 320.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O6/c1-9(18)17-11(15(21)16-5-4-14(19)20)6-10-2-3-12-13(7-10)23-8-22-12/h2-3,6-7H,4-5,8H2,1H3,(H,16,21)(H,17,18)(H,19,20)/b11-6+InChIKey
JTQSYXYEJIQZGU-IZZDOVSWSA-NSynonyms
331256-70-3(E)3(2acetamido3(benzo(d)(13)dioxol5yl)acrylamido)propanoicacid
1594524
3(((~(E))2acetamido3(13benzodioxol5yl)prop2enoyl)amino)propanoicacid
3(((E)2ACETAMIDO3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)PROPANOICACID
3(2ACETYLAMINO3BENZO(13)DIOXOL5YLACRYLOYLAMINO)PROPIONICACID
331256703
CC(=O)NC(=Cc1ccc2c(c1)OCO2)C(=O)NCCC(=O)O
InChI=1SC15H16N2O6c19(18)1711(15(21)165414(19)20)610231213(710)2382212h2367H458H21H3(H1621)(H1718)(H1920)b116+
MFCD00558646
N((2E)2(acetylamino)3(13benzodioxol5yl)prop2enoyl)betaalanine
ZINC000001811703
ZINC1811703
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