Vitas-M small molecule compound
8-{[(3-chlorobenzyl)ammonio]methyl}-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-2H-chromen-7-olate
Catalog ID
STK627565
SMILES COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C[NH2+]Cc1cccc(c1)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 C21H20ClNO5 MW 401.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClNO5/c1-12-15-6-7-18(24)17(11-23-10-13-4-3-5-14(22)8-13)20(15)28-21(26)16(12)9-19(25)27-2/h3-8,23-24H,9-11H2,1-2H3InChIKey
XSLLXSWDLRZDEM-UHFFFAOYSA-NSynonyms
8(((3chlorobenzyl)ammonio)methyl)3(2methoxy2oxoethyl)4methyl2oxo2Hchromen7olate
CC1=C(C(=O)OC2=C1C=CC(=C2CNCC3=CC(=CC=C3)Cl)O)CC(=O)OC
COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C(NH2+)Cc1cccc(c1)Cl)(O)
InChI=1SC21H20ClNO5c112156718(24)17(1123101343514(22)813)20(15)2821(26)16(12)919(25)272h382324H911H212H3
methyl2(8(((3chlorophenyl)methylamino)methyl)7hydroxy4methyl2oxochromen3yl)acetate
MFCD09845185
ZINC000009485938
ZINC9485938
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