Vitas-M small molecule compound
4-{[(2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(2-methoxyphenyl)carbonyl]amino}prop-2-enoyl]amino}butanoic acid
Catalog ID
STL327644
SMILES COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)/C(=O)NCCCC(=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 C22H22N2O7 MW 426.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O7/c1-29-17-6-3-2-5-15(17)21(27)24-16(22(28)23-10-4-7-20(25)26)11-14-8-9-18-19(12-14)31-13-30-18/h2-3,5-6,8-9,11-12H,4,7,10,13H2,1H3,(H,23,28)(H,24,27)(H,25,26)/b16-11-InChIKey
VWYXRMOVKHQPQH-WJDWOHSUSA-NSynonyms
332374-75-1(Z)4(3(benzo(d)(13)dioxol5yl)2(2methoxybenzamido)acrylamido)butanoicacid
332374751
4(((2Z)3(13benzodioxol5yl)2(((2methoxyphenyl)carbonyl)amino)prop2enoyl)amino)butanoicacid
4(((Z)3(13BENZODIOXOL5YL)2((2METHOXYBENZOYL)AMINO)PROP2ENOYL)AMINO)BUTANOICACID
COC1=CC=CC=C1C(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)NCCCC(=O)O
COc1ccccc1C(=O)NC(=Cc1ccc2c(c1)OCO2)C(=O)NCCCC(=O)O
InChI=1SC22H22N2O7c12917632515(17)21(27)2416(22(28)23104720(25)26)1114891819(1214)31133018h2356891112H471013H21H3(H2328)(H2427)(H2526)b1611
MFCD01949778
ZINC000009330936
ZINC9330936
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