Vitas-M small molecule compound
methyl 4-({[(6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl]amino}methyl)benzoate
Catalog ID
STK614121
SMILES COC(=O)c1ccc(cc1)CNCc1c(O)c(Cl)cc2c1oc(=O)cc2CC
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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/c1-3-13-8-18(24)28-20-15(13)9-17(22)19(25)16(20)11-23-10-12-4-6-14(7-5-12)21(26)27-2/h4-9,23,25H,3,10-11H2,1-2H3InChIKey
AVDRSBRATBSGFI-UHFFFAOYSA-NSynonyms
903206-01-96chloro4ethyl8(((4methoxycarbonylphenyl)methylazaniumyl)methyl)2oxochromen7olate
903206019
CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)(O))C(NH2+)CC3=CC=C(C=C3)C(=O)OC
InChI=1SC21H20ClNO5c1313818(24)282015(13)917(22)19(25)16(20)112310124614(7512)21(26)272h492325H31011H212H3
methyl4((((6chloro4ethyl7hydroxy2oxo2Hchromen8yl)methyl)amino)methyl)benzoate
METHYL4(((6CHLORO4ETHYL7HYDROXY2OXOCHROMEN8YL)METHYLAMINO)METHYL)BENZOATE
MFCD08292479
ZINC000020591266
ZINC20591266
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