Vitas-M small molecule compound
6-chloro-4-{[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl}-2-oxo-2H-chromen-7-olate
Catalog ID
STK594795
SMILES COc1ccc(cc1)N1CC[NH+](CC1)Cc1cc(=O)oc2c1cc(Cl)c(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 C21H21ClN2O4 MW 400.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O4/c1-27-16-4-2-15(3-5-16)24-8-6-23(7-9-24)13-14-10-21(26)28-20-12-19(25)18(22)11-17(14)20/h2-5,10-12,25H,6-9,13H2,1H3InChIKey
FIBZYEZDWUYPCZ-UHFFFAOYSA-NSynonyms
849459-02-56chloro4((4(4methoxyphenyl)piperazin1ium1yl)methyl)2oxo2Hchromen7olate
6CHLORO7HYDROXY4((4(4METHOXYPHENYL)PIPERAZIN1YL)METHYL)CHROMEN2ONE
6CHLORO7HYDROXY4((4(4METHOXYPHENYL)PIPERAZINYL)METHYL)CHROMEN2ONE
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)O
COc1ccc(cc1)N1CC(NH+)(CC1)Cc1cc(=O)oc2c1cc(Cl)c(c2)(O)
InChI=1SC21H21ClN2O4c127164215(3516)248623(7924)13141021(26)28201219(25)18(22)1117(14)20h25101225H6913H21H3
MFCD05701634
ZINC000054105955
ZINC54105955
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