Vitas-M small molecule compound

4-butyl-7-({1-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}oxy)-8-methyl-2H-chromen-2-one

Catalog ID
STL565440
SMILES CCCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)N1CCC2(C(C1c1ccc(cc1)Cl)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 C32H38ClNO5 MW 552.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38ClNO5/c1-4-5-8-23-19-28(35)39-30-20(2)27(15-14-25(23)30)38-21(3)31(36)34-18-17-32(37)16-7-6-9-26(32)29(34)22-10-12-24(33)13-11-22/h10-15,19,21,26,29,37H,4-9,16-18H2,1-3H3
InChIKey
BPPWJVYBXWKXHQ-UHFFFAOYSA-N
Synonyms
1005107-44-7
1005107447
4837274
4butyl7((1((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)8methyl2Hchromen2one
4butyl7((1(1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)8methyl2Hchromen2one
4butyl7(1(1(4chlorophenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)1oxopropan2yl)oxy8methylchromen2one
CCCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)N1CCC2(C((C@@H)1c1ccc(cc1)Cl)CCCC2)O)C
InChI=1SC32H38ClNO5c1458231928(35)393020(2)27(151425(23)30)3821(3)31(36)34181732(37)1676926(32)29(34)22101224(33)131122h10151921262937H491618H213H3
MFCD05733230
ZINC000070698964
ZINC000253387609

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Available files

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