Vitas-M small molecule compound
(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK853268
SMILES Cc1ccc(o1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCC1)[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 C19H19NO4 MW 325.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO4/c1-12-4-5-13(23-12)10-17-18(22)14-6-7-16(21)15(19(14)24-17)11-20-8-2-3-9-20/h4-7,10,21H,2-3,8-9,11H2,1H3/b17-10-InChIKey
IKAXZBGIVUFFCA-YVLHZVERSA-NSynonyms
896848-47-8(2Z)2((5methylfuran2yl)methylidene)3oxo7(pyrrolidin1ium1ylmethyl)1benzofuran6olate
(2Z)2((5methylfuran2yl)methylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)6HYDROXY2((5METHYLFURAN2YL)METHYLIDENE)7(PYRROLIDIN1YLMETHYL)1BENZOFURAN3ONE
6HYDROXY2((5METHYL(2FURYL))METHYLENE)7(PYRROLIDINYLMETHYL)BENZO(B)FURAN3ONE
896848478
CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCCC4
Cc1ccc(o1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC1)(O)
InChI=1SC19H19NO4c1124513(2312)101718(22)146716(21)15(19(14)2417)1120823920h471021H238911H21H3b1710
MFCD06602580
ZINC000013817152
ZINC13817152
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