Vitas-M small molecule compound
4-butyl-7-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-8-methyl-2H-chromen-2-one
Catalog ID
STL461095
SMILES CCCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)N1CCC2(C(C1)CCCC2)O)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 C26H35NO5 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO5/c1-4-5-8-19-15-23(28)32-24-17(2)22(11-10-21(19)24)31-18(3)25(29)27-14-13-26(30)12-7-6-9-20(26)16-27/h10-11,15,18,20,30H,4-9,12-14,16H2,1-3H3InChIKey
CYAGVRAVQLXTFP-UHFFFAOYSA-NSynonyms
4butyl7((1(4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)8methyl2Hchromen2one
7(1(4ahydroxy13456788aoctahydroisoquinolin2yl)1oxopropan2yl)oxy4butyl8methylchromen2one
CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)N3CCC4(CCCCC4C3)O
InChI=1SC26H35NO5c1458191523(28)322417(2)22(111021(19)24)3118(3)25(29)27141326(30)1276920(26)1627h101115182030H49121416H213H3
MFCD10040760
ZINC000002108698
ZINC000238882262
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