Vitas-M small molecule compound
(2Z)-2-(3-methylbenzylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848896
SMILES Cc1cccc(c1)/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 C21H21NO3 MW 335.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO3/c1-14-5-4-6-15(11-14)12-19-20(24)16-7-8-18(23)17(21(16)25-19)13-22-9-2-3-10-22/h4-8,11-12,23H,2-3,9-10,13H2,1H3/b19-12-InChIKey
UAUPESXXLJEMCX-UNOMPAQXSA-NSynonyms
899390-07-9(2Z)2(3methylbenzylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)6HYDROXY2((3METHYLPHENYL)METHYLIDENE)7(PYRROLIDIN1YLMETHYL)1BENZOFURAN3ONE
6HYDROXY2((3METHYLPHENYL)METHYLENE)7(PYRROLIDINYLMETHYL)BENZO(B)FURAN3ONE
899390079
CC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCC4
Cc1cccc(c1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC1)(O)
InChI=1SC21H21NO3c11454615(1114)121920(24)167818(23)17(21(16)2519)13229231022h48111223H2391013H21H3b1912
MFCD06610253
ZINC000013541047
ZINC13541047
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