Vitas-M small molecule compound
3-(2-bromophenoxy)-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-oxo-4H-chromen-7-olate
Catalog ID
STL057127
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1occ(c2=O)Oc1ccccc1Br
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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 C22H23BrN2O5 MW 475.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN2O5/c23-17-3-1-2-4-19(17)30-20-14-29-22-15(21(20)28)5-6-18(27)16(22)13-25-9-7-24(8-10-25)11-12-26/h1-6,14,26-27H,7-13H2InChIKey
VITYHRVVKKGWNT-UHFFFAOYSA-NSynonyms
844833-27-83(2BROMOPHENOXY)7HYDROXY8((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)CHROMEN4ONE
3(2bromophenoxy)8((4(2hydroxyethyl)piperazin1ium1yl)methyl)4oxo4Hchromen7olate
844833278
C1CN(CCN1CCO)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)O
InChI=1SC22H23BrN2O5c2317312419(17)302014292215(21(20)28)5618(27)16(22)13259724(81025)111226h16142627H713H2
MFCD04163611
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1occ(c2=O)Oc1ccccc1Br
ZINC000020358378
ZINC20358378
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