Vitas-M small molecule compound

(2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK629191
SMILES CC(C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)/C2=O)CC(C)C)C

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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 C26H30ClNO5 MW 471.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30ClNO5/c1-15(2)10-28(11-16(3)4)12-21-22(29)6-5-20-24(30)23(33-26(20)21)9-17-7-19(27)8-18-13-31-14-32-25(17)18/h5-9,15-16,29H,10-14H2,1-4H3/b23-9-
InChIKey
XCUZZKZHOCZPQU-AQHIEDMUSA-N
Synonyms
929830-73-9
929830739
CC(C(NH+)(Cc1c((O))ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O)CC(C)C)C
MFCD09792056
ZINC000020649213

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Available files

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