Vitas-M small molecule compound
3-(2-methoxy-2-oxoethyl)-4-methyl-8-({[4-(4-methylpiperidin-1-yl)phenyl]ammonio}methyl)-2-oxo-2H-chromen-7-olate
Catalog ID
STK624344
SMILES COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C[NH2+]c1ccc(cc1)N1CCC(CC1)C)[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 C26H30N2O5 MW 450.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O5/c1-16-10-12-28(13-11-16)19-6-4-18(5-7-19)27-15-22-23(29)9-8-20-17(2)21(14-24(30)32-3)26(31)33-25(20)22/h4-9,16,27,29H,10-15H2,1-3H3InChIKey
WJKLQTAAACWTLU-UHFFFAOYSA-NSynonyms
3(2methoxy2oxoethyl)4methyl8(((4(4methylpiperidin1yl)phenyl)ammonio)methyl)2oxo2Hchromen7olate
CC1CCN(CC1)C2=CC=C(C=C2)NCC3=C(C=CC4=C3OC(=O)C(=C4C)CC(=O)OC)O
COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C(NH2+)c1ccc(cc1)N1CCC(CC1)C)(O)
InChI=1SC26H30N2O5c116101228(131116)196418(5719)27152223(29)982017(2)21(1424(30)323)26(31)3325(20)22h49162729H1015H213H3
methyl2(7hydroxy4methyl8((4(4methylpiperidin1yl)anilino)methyl)2oxochromen3yl)acetate
MFCD08749442
ZINC000009060512
ZINC09060512
ZINC9060512
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