Vitas-M small molecule compound
3-[(5E)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl]benzoic acid
Catalog ID
STK226491
SMILES CCOc1cc2OCOc2cc1/C=C/1\C(=O)NC(=O)N(C1=O)c1cccc(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 C21H16N2O8 MW 424.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O8/c1-2-29-15-9-17-16(30-10-31-17)8-12(15)7-14-18(24)22-21(28)23(19(14)25)13-5-3-4-11(6-13)20(26)27/h3-9H,2,10H2,1H3,(H,26,27)(H,22,24,28)/b14-7+InChIKey
GIXCHUXJSGGHTG-VGOFMYFVSA-NSynonyms
3((5E)5((6ethoxy13benzodioxol5yl)methylidene)246trioxo13diazinan1yl)benzoicacid
3((5E)5((6ETHOXY13BENZODIOXOL5YL)METHYLIDENE)246TRIOXOTETRAHYDROPYRIMIDIN1(2H)YL)BENZOICACID
CCOC1=CC2=C(C=C1C=C3C(=O)NC(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O)OCO2
CCOc1cc2OCOc2cc1C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)C(=O)O
InChI=1SC21H16N2O8c12291591716(30103117)812(15)71418(24)2221(28)23(19(14)25)1353411(613)20(26)27h39H210H21H3(H2627)(H222428)b147+
MFCD08671047
ZINC000013838806
ZINC13838806
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