Vitas-M small molecule compound
(2E)-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-2-[(1-ethyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK627566
SMILES CCn1cc(c2c1cccc2)/C=C\1/Oc2c(C1=O)ccc(c2C[NH+]1CC(C)CC(C1)C)[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 C27H30N2O3 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O3/c1-4-29-15-19(20-7-5-6-8-23(20)29)12-25-26(31)21-9-10-24(30)22(27(21)32-25)16-28-13-17(2)11-18(3)14-28/h5-10,12,15,17-18,30H,4,11,13-14,16H2,1-3H3/b25-12+InChIKey
NZJVEMLDYNICJQ-BRJLIKDPSA-NSynonyms
929440-31-3(2E)7((35dimethylpiperidin1yl)methyl)2((1ethylindol3yl)methylidene)6hydroxy1benzofuran3one
(2E)7((35dimethylpiperidinium1yl)methyl)2((1ethyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
929440313
CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN5CC(CC(C5)C)C
CCn1cc(c2c1cccc2)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CC(C)CC(C1)C)(O)
InChI=1SC27H30N2O3c14291519(20756823(20)29)122526(31)2191024(30)22(27(21)3225)16281317(2)1118(3)1428h5101215171830H411131416H213H3b2512+
MFCD09796967
ZINC000013681157
ZINC000020650222
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