Vitas-M small molecule compound
3-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-{[(4-butoxyphenyl)carbonyl]amino}prop-2-enoyl]amino}benzoic acid
Catalog ID
STK382039
SMILES CCCCOc1ccc(cc1)C(=O)N/C(=C/c1ccc2c(c1)OCO2)/C(=O)Nc1cccc(c1)C(=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 C28H26N2O7 MW 502.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O7/c1-2-3-13-35-22-10-8-19(9-11-22)26(31)30-23(14-18-7-12-24-25(15-18)37-17-36-24)27(32)29-21-6-4-5-20(16-21)28(33)34/h4-12,14-16H,2-3,13,17H2,1H3,(H,29,32)(H,30,31)(H,33,34)/b23-14+InChIKey
IYUDEHQLTQPSOA-OEAKJJBVSA-NSynonyms
3(((2E)3(13benzodioxol5yl)2(((4butoxyphenyl)carbonyl)amino)prop2enoyl)amino)benzoicacid
3(((E)3(13BENZODIOXOL5YL)2((4BUTOXYBENZOYL)AMINO)PROP2ENOYL)AMINO)BENZOICACID
3((2E)3(2HBENZO(34D)13DIOXOLAN5YL)2((4BUTOXYPHENYL)CARBONYLAMINO)PROP2ENOYLAMINO)BENZOICACID
CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC(=C4)C(=O)O
CCCCOc1ccc(cc1)C(=O)NC(=Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(c1)C(=O)O
InChI=1SC28H26N2O7c12313352210819(91122)26(31)3023(14187122425(1518)37173624)27(32)292164520(1621)28(33)34h4121416H231317H21H3(H2932)(H3031)(H3334)b2314+
MFCD03273759
ZINC000008722295
ZINC8722295
Check stock
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