Vitas-M small molecule compound
5-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-3,4,7-trimethyl-2H-chromen-2-one
Catalog ID
STL461116
SMILES Cc1cc(OCC(=O)N2CCC3(C(C2)CCCC3)O)c2c(c1)oc(=O)c(c2C)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 C23H29NO5 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO5/c1-14-10-18(21-15(2)16(3)22(26)29-19(21)11-14)28-13-20(25)24-9-8-23(27)7-5-4-6-17(23)12-24/h10-11,17,27H,4-9,12-13H2,1-3H3InChIKey
YXGCZHXRFHIDCY-UHFFFAOYSA-NSynonyms
5(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)347trimethylchromen2one
5(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)347trimethyl2Hchromen2one
CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OCC(=O)N3CCC4(CCCCC4C3)O
InChI=1SC23H29NO5c1141018(2115(2)16(3)22(26)2919(21)1114)281320(25)249823(27)754617(23)1224h10111727H491213H213H3
MFCD10040781
ZINC000002108560
ZINC000008301660
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