Vitas-M small molecule compound
6-chloro-7-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-3,4-dimethyl-2H-chromen-2-one
Catalog ID
STL472561
SMILES O=C(N1CCC2(C(C1)CCCC2)O)COc1cc2oc(=O)c(c(c2cc1Cl)C)C
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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 C22H26ClNO5 MW 419.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26ClNO5/c1-13-14(2)21(26)29-18-10-19(17(23)9-16(13)18)28-12-20(25)24-8-7-22(27)6-4-3-5-15(22)11-24/h9-10,15,27H,3-8,11-12H2,1-2H3InChIKey
MOLYWOIAOTWOFS-UHFFFAOYSA-NSynonyms
6chloro7(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)34dimethyl2Hchromen2one
7(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)6chloro34dimethylchromen2one
CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)N3CCC4(CCCCC4C3)O)C
InChI=1SC22H26ClNO5c11314(2)21(26)29181019(17(23)916(13)18)281220(25)248722(27)643515(22)1124h9101527H381112H212H3
MFCD27962347
ZINC000079189399
ZINC000096343629
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