Vitas-M small molecule compound
(2Z)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK852215
SMILES CN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)[N+](=O)[O-])/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 C21H21N3O5 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5/c1-22-7-9-23(10-8-22)13-17-18(25)6-5-16-20(26)19(29-21(16)17)12-14-3-2-4-15(11-14)24(27)28/h2-6,11-12,25H,7-10,13H2,1H3/b19-12-InChIKey
XJIXEXBQQWUYOK-UNOMPAQXSA-NSynonyms
900283-28-5(2Z)6HYDROXY7((4METHYLPIPERAZIN1YL)METHYL)2((3NITROPHENYL)METHYLIDENE)1BENZOFURAN3ONE
(2Z)7((4methylpiperazin1ium1yl)methyl)2((3nitrophenyl)methylidene)3oxo1benzofuran6olate
(2Z)7((4methylpiperazin1ium1yl)methyl)2(3nitrobenzylidene)3oxo23dihydro1benzofuran6olate
6HYDROXY7((4METHYLPIPERAZINYL)METHYL)2((3NITROPHENYL)METHYLENE)BENZO(B)FURAN3ONE
900283285
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cccc(c1)(N+)(=O)(O))C2=O
CN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)(N+)(=O)(O))C3=O)(O)
InChI=1SC21H21N3O5c1227923(10822)131718(25)651620(26)19(2921(16)17)121432415(1114)24(27)28h26111225H71013H21H3b1912
MFCD06612639
ZINC000020533476
ZINC20533476
Check stock
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