Vitas-M small molecule compound
(2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK847870
SMILES CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccncc1)/C2=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 C21H23N3O3 MW 365.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O3/c1-2-23-9-11-24(12-10-23)14-17-18(25)4-3-16-20(26)19(27-21(16)17)13-15-5-7-22-8-6-15/h3-8,13,25H,2,9-12,14H2,1H3/b19-13-InChIKey
DTJLNOOZHIYFJQ-UYRXBGFRSA-NSynonyms
900276-16-6(2Z)7((4ethylpiperazin1ium1yl)methyl)3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6olate
(2Z)7((4ETHYLPIPERAZIN1YL)METHYL)6HYDROXY2(PYRIDIN4YLMETHYLIDENE)1BENZOFURAN3ONE
7((4ETHYLPIPERAZINYL)METHYL)6HYDROXY2(4PYRIDYLMETHYLENE)BENZO(B)FURAN3ONE
900276166
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1ccncc1)C2=O
CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)O
InChI=1SC21H23N3O3c122391124(121023)141718(25)431620(26)19(2721(16)17)131557228615h381325H291214H21H3b1913
MFCD06612442
ZINC000020533472
ZINC20533472
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