Vitas-M small molecule compound
3-{[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]oxy}-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
Catalog ID
STL461106
SMILES CC(C(=O)N1CCC2(C(C1)CCCC2)O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1
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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 C25H31NO5 MW 425.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO5/c1-16(23(27)26-13-12-25(29)11-5-4-6-17(25)15-26)30-18-9-10-20-19-7-2-3-8-21(19)24(28)31-22(20)14-18/h9-10,14,16-17,29H,2-8,11-13,15H2,1H3InChIKey
VQJMILKSUUHGTB-UHFFFAOYSA-NSynonyms
3((1(4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)78910tetrahydro6Hbenzo(c)chromen6one
3(1(4ahydroxy13456788aoctahydroisoquinolin2yl)1oxopropan2yl)oxy78910tetrahydrobenzo(c)chromen6one
CC(C(=O)N1CCC2(CCCCC2C1)O)OC3=CC4=C(C=C3)C5=C(CCCC5)C(=O)O4
InChI=1SC25H31NO5c116(23(27)26131225(29)1154617(25)1526)30189102019723821(19)24(28)3122(20)1418h91014161729H28111315H21H3
MFCD10040771
ZINC000002122872
ZINC000238937464
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