Vitas-M small molecule compound
methyl [6-chloro-7-hydroxy-4-methyl-2-oxo-8-(pyrrolidin-1-ylmethyl)-2H-chromen-3-yl]acetate
Catalog ID
STK621486
SMILES COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2CN1CCCC1)O)Cl
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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 C18H20ClNO5 MW 365.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClNO5/c1-10-11-7-14(19)16(22)13(9-20-5-3-4-6-20)17(11)25-18(23)12(10)8-15(21)24-2/h7,22H,3-6,8-9H2,1-2H3InChIKey
NQNLDVHEFMAHRV-UHFFFAOYSA-NSynonyms
929815-76-96chloro3(2methoxy2oxoethyl)4methyl2oxo8(pyrrolidin1ium1ylmethyl)chromen7olate
929815769
CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)(O))C(NH+)3CCCC3)CC(=O)OC
InChI=1SC18H20ClNO5c11011714(19)16(22)13(920534620)17(11)2518(23)12(10)815(21)242h722H3689H212H3
methyl(6chloro7hydroxy4methyl2oxo8(pyrrolidin1ylmethyl)2Hchromen3yl)acetate
methyl2(6chloro7hydroxy4methyl2oxo8(pyrrolidin1ylmethyl)2Hchromen3yl)acetate
MFCD09794893
ZINC000020649946
ZINC20649946
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