Vitas-M small molecule compound
4-[(1E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-1-yl]benzoic acid
Catalog ID
STK506945
SMILES O=C(c1ccc2c(c1)OCO2)/C=C/c1ccc(cc1)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 C17H12O5 MW 296.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12O5/c18-14(13-6-8-15-16(9-13)22-10-21-15)7-3-11-1-4-12(5-2-11)17(19)20/h1-9H,10H2,(H,19,20)/b7-3+InChIKey
QSUBTJLDHQGITP-XVNBXDOJSA-NSynonyms
1014629-59-41014629594
4((1E)3(13benzodioxol5yl)3oxoprop1en1yl)benzoicacid
4((1E)3(2HBENZO(34D)13DIOXOLEN5YL)3OXOPROP1ENYL)BENZOICACID
4((E)3(13BENZODIOXOL5YL)3OXOPROP1ENYL)BENZOICACID
C1OC2=C(O1)C=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C(=O)O
InChI=1SC17H12O5c1814(13681516(913)22102115)73111412(5211)17(19)20h19H10H2(H1920)b73+
MFCD07958804
O=C(c1ccc2c(c1)OCO2)C=Cc1ccc(cc1)C(=O)O
ZINC000006341013
ZINC6341013
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