Vitas-M small molecule compound
N-[(2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(2-methoxyphenyl)carbonyl]amino}prop-2-enoyl]-beta-alanine
Catalog ID
STL327730
SMILES COc1ccccc1C(=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 C21H20N2O7 MW 412.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O7/c1-28-16-5-3-2-4-14(16)20(26)23-15(21(27)22-9-8-19(24)25)10-13-6-7-17-18(11-13)30-12-29-17/h2-7,10-11H,8-9,12H2,1H3,(H,22,27)(H,23,26)(H,24,25)/b15-10-InChIKey
HYCNDASZAYLFFU-GDNBJRDFSA-NSynonyms
332374-73-9(Z)3(3(benzo(d)(13)dioxol5yl)2(2methoxybenzamido)acrylamido)propanoicacid
3(((Z)3(13BENZODIOXOL5YL)2((2METHOXYBENZOYL)AMINO)PROP2ENOYL)AMINO)PROPANOICACID
332374739
COC1=CC=CC=C1C(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)NCCC(=O)O
COc1ccccc1C(=O)NC(=Cc1ccc2c(c1)OCO2)C(=O)NCCC(=O)O
InChI=1SC21H20N2O7c12816532414(16)20(26)2315(21(27)229819(24)25)1013671718(1113)30122917h271011H8912H21H3(H2227)(H2326)(H2425)b1510
MFCD01951512
N((2Z)3(13benzodioxol5yl)2(((2methoxyphenyl)carbonyl)amino)prop2enoyl)betaalanine
ZINC000004808629
ZINC4808629
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