Vitas-M small molecule compound
methyl [8-({[4-(benzyloxy)phenyl]amino}methyl)-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl]acetate
Catalog ID
STK601299
SMILES COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2CNc1ccc(cc1)OCc1ccccc1)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 C27H25NO6 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO6/c1-17-21-12-13-24(29)23(26(21)34-27(31)22(17)14-25(30)32-2)15-28-19-8-10-20(11-9-19)33-16-18-6-4-3-5-7-18/h3-13,28-29H,14-16H2,1-2H3InChIKey
AXMCHYKFQPLQCZ-UHFFFAOYSA-NSynonyms
CC1=C(C(=O)OC2=C1C=CC(=C2CNC3=CC=C(C=C3)OCC4=CC=CC=C4)O)CC(=O)OC
COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2CNc1ccc(cc1)OCc1ccccc1)OCl
InChI=1SC27H25NO6c11721121324(29)23(26(21)3427(31)22(17)1425(30)322)15281981020(11919)3316186435718h3132829H1416H212H3
methyl(8(((4(benzyloxy)phenyl)amino)methyl)7hydroxy4methyl2oxo2Hchromen3yl)acetate
methyl2(7hydroxy4methyl2oxo8((4phenylmethoxyanilino)methyl)chromen3yl)acetate
methyl2(8(((4(benzyloxy)phenyl)amino)methyl)7hydroxy4methyl2oxo2Hchromen3yl)acetatehydrochloride
MFCD08744152
ZINC000008914749
ZINC08914749
ZINC8914749
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