Vitas-M small molecule compound
6-chloro-2-oxo-4-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-ium-1-yl}methyl)-2H-chromen-7-olate
Catalog ID
STK852399
SMILES O=c1cc(C[NH+]2CCN(CC2)C/C=C/c2ccccc2)c2c(o1)cc(c(c2)Cl)[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 C23H23ClN2O3 MW 410.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN2O3/c24-20-14-19-18(13-23(28)29-22(19)15-21(20)27)16-26-11-9-25(10-12-26)8-4-7-17-5-2-1-3-6-17/h1-7,13-15,27H,8-12,16H2/b7-4+InChIKey
ZFAXZGLTGUFGPC-QPJJXVBHSA-NSynonyms
896837-65-36chloro2oxo4((4((2E)3phenylprop2en1yl)piperazin1ium1yl)methyl)2Hchromen7olate
6chloro2oxo4((4((E)3phenylprop2enyl)piperazin1ium1yl)methyl)chromen7olate
6CHLORO7HYDROXY4((4((E)3PHENYLPROP2ENYL)PIPERAZIN1YL)METHYL)CHROMEN2ONE
896837653
C1CN(CC(NH+)1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)(O))CC=CC4=CC=CC=C4
InChI=1SC23H23ClN2O3c2420141918(1323(28)2922(19)1521(20)27)162611925(101226)847175213617h17131527H81216H2b74+
MFCD06600378
O=c1cc(C(NH+)2CCN(CC2)CC=Cc2ccccc2)c2c(o1)cc(c(c2)Cl)(O)
ZINC000019371410
ZINC19371410
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