Vitas-M small molecule compound

3-benzyl-7-({1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}oxy)-4,8-dimethyl-2H-chromen-2-one

Catalog ID
STL537003
SMILES O=C(C(Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)C)N1CC[C@@]2([C@H](C1)CCCC2)O

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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 C30H35NO5 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO5/c1-19-24-12-13-26(20(2)27(24)36-29(33)25(19)17-22-9-5-4-6-10-22)35-21(3)28(32)31-16-15-30(34)14-8-7-11-23(30)18-31/h4-6,9-10,12-13,21,23,34H,7-8,11,14-18H2,1-3H3/t21?,23-,30-/m0/s1
InChIKey
JSKCDKUXMRBVSU-LULYYXHJSA-N
Synonyms
956822-91-6
16400313
3benzyl7((1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)48dimethyl2Hchromen2one
3benzyl7((1(4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)48dimethyl2Hchromen2one
7(1((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)1oxopropan2yl)oxy3benzyl48dimethylchromen2one
956822916
InChI=1SC30H35NO5c11924121326(20(2)27(24)3629(33)25(19)172295461022)3521(3)28(32)31161530(34)14871123(30)1831h469101213212334H78111418H213H3t21?2330m0s1
MFCD05671212
O=C(C(Oc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)C)N1CCC2(C(C1)CCCC2)O
ZINC000008918161
ZINC000008918162

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Available files

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