Vitas-M small molecule compound
(2Z)-6-hydroxy-2-(4-methylbenzylidene)-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3(2H)-one
Catalog ID
STL033762
SMILES Cc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2CN1CCCC1)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/c1-14-4-6-15(7-5-14)12-19-20(24)16-8-9-18(23)17(21(16)25-19)13-22-10-2-3-11-22/h4-9,12,23H,2-3,10-11,13H2,1H3/b19-12-InChIKey
HCYQBBGAGKITCV-UNOMPAQXSA-NSynonyms
887214-12-2(2Z)2((4methylphenyl)methylidene)3oxo7(pyrrolidin1ium1ylmethyl)1benzofuran6olate
(2Z)6HYDROXY2((4METHYLPHENYL)METHYLIDENE)7(PYRROLIDIN1YLMETHYL)1BENZOFURAN3ONE
(2Z)6hydroxy2(4methylbenzylidene)7(pyrrolidin1ylmethyl)1benzofuran3(2H)one
6HYDROXY2((4METHYLPHENYL)METHYLENE)7(PYRROLIDINYLMETHYL)BENZO(B)FURAN3ONE
887214122
CC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCCC4
Cc1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2CN1CCCC1)O
InChI=1SC21H21NO3c1144615(7514)121920(24)168918(23)17(21(16)2519)132210231122h491223H23101113H21H3b1912
MFCD06745630
ZINC000022625785
ZINC22625785
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