Vitas-M small molecule compound

3-(3-ethoxy-3-oxopropyl)-6-({[4-(methoxycarbonyl)phenyl]ammonio}methyl)-4,8-dimethyl-2-oxo-2H-chromen-7-olate

Catalog ID
STK622465
SMILES CCOC(=O)CCc1c(=O)oc2c(c1C)cc(c(c2C)[O-])C[NH2+]c1ccc(cc1)C(=O)OC

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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 C25H27NO7 MW 453.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO7/c1-5-32-21(27)11-10-19-14(2)20-12-17(22(28)15(3)23(20)33-25(19)30)13-26-18-8-6-16(7-9-18)24(29)31-4/h6-9,12,26,28H,5,10-11,13H2,1-4H3
InChIKey
KABHAVPVACUIMH-UHFFFAOYSA-N
Synonyms

3(3ethoxy3oxopropyl)6(((4(methoxycarbonyl)phenyl)ammonio)methyl)48dimethyl2oxo2Hchromen7olate
CCOC(=O)CCC1=C(C2=CC(=C(C(=C2OC1=O)C)O)CNC3=CC=C(C=C3)C(=O)OC)C
CCOC(=O)CCc1c(=O)oc2c(c1C)cc(c(c2C)(O))C(NH2+)c1ccc(cc1)C(=O)OC
InChI=1SC25H27NO7c153221(27)11101914(2)201217(22(28)15(3)23(20)3325(19)30)1326188616(7918)24(29)314h69122628H5101113H214H3
methyl4((3(3ethoxy3oxopropyl)7hydroxy48dimethyl2oxochromen6yl)methylamino)benzoate
MFCD08747640
ZINC000009306396
ZINC09306396
ZINC9306396

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Available files

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