Vitas-M small molecule compound
3-benzyl-6-chloro-4-methyl-2-oxo-8-(pyrrolidinium-1-ylmethyl)-2H-chromen-7-olate
Catalog ID
STL039888
SMILES O=c1oc2c(C[NH+]3CCCC3)c([O-])c(cc2c(c1Cc1ccccc1)C)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 C22H22ClNO3 MW 383.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO3/c1-14-16-12-19(23)20(25)18(13-24-9-5-6-10-24)21(16)27-22(26)17(14)11-15-7-3-2-4-8-15/h2-4,7-8,12,25H,5-6,9-11,13H2,1H3InChIKey
NHHAFKYBNLNZRA-UHFFFAOYSA-NSynonyms
577997-50-33BENZYL6CHLORO4METHYL2OXO8(PYRROLIDIN1IUM1YLMETHYL)CHROMEN7OLATE
3benzyl6chloro4methyl2oxo8(pyrrolidinium1ylmethyl)2Hchromen7olate
3BENZYL6CHLORO7HYDROXY4METHYL8(PYRROLIDIN1YLMETHYL)CHROMEN2ONE
577997503
CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)(O))C(NH+)3CCCC3)CC4=CC=CC=C4
InChI=1SC22H22ClNO3c114161219(23)20(25)18(13249561024)21(16)2722(26)17(14)11157324815h24781225H5691113H21H3
MFCD04022619
O=c1oc2c(C(NH+)3CCCC3)c((O))c(cc2c(c1Cc1ccccc1)C)Cl
ZINC000020292827
ZINC20292827
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