Vitas-M small molecule compound
(2Z)-7-[(dipropylammonio)methyl]-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856244
SMILES CCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cccs1)/C2=O)CCC
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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 C20H23NO3S MW 357.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23NO3S/c1-3-9-21(10-4-2)13-16-17(22)8-7-15-19(23)18(24-20(15)16)12-14-6-5-11-25-14/h5-8,11-12,22H,3-4,9-10,13H2,1-2H3/b18-12-InChIKey
OAOBCCGIETXUFT-PDGQHHTCSA-NSynonyms
929488-67-5(2Z)7((dipropylamino)methyl)6hydroxy2(thiophen2ylmethylidene)1benzofuran3one
(2Z)7((dipropylammonio)methyl)3oxo2(thiophen2ylmethylidene)23dihydro1benzofuran6olate
929488675
CCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cccs1)C2=O)CCC
CCCN(CCC)CC1=C(C=CC2=C1OC(=CC3=CC=CS3)C2=O)O
InChI=1SC20H23NO3Sc13921(1042)131617(22)871519(23)18(2420(15)16)121465112514h58111222H3491013H212H3b1812
MFCD09793842
ZINC000020650090
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