Vitas-M small molecule compound

5-({1-[(1R,4aS,8aS)-1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}oxy)-3,4,7-trimethyl-2H-chromen-2-one

Catalog ID
STL547818
SMILES Clc1ccc(cc1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)C(Oc1cc(C)cc2c1c(C)c(c(=O)o2)C)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 C30H34ClNO5 MW 524.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34ClNO5/c1-17-15-24(26-18(2)19(3)29(34)37-25(26)16-17)36-20(4)28(33)32-14-13-30(35)12-6-5-7-23(30)27(32)21-8-10-22(31)11-9-21/h8-11,15-16,20,23,27,35H,5-7,12-14H2,1-4H3/t20?,23-,27-,30-/m0/s1
InChIKey
DHDGFSWFTYFCJS-CLGPFJJHSA-N
Synonyms

135639779
5((1((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)347trimethyl2Hchromen2one
5((1((1R4aS8aS)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)347trimethyl2Hchromen2one
5(1((1~(R)4~(a)~(S)8~(a)~(S))1(4chlorophenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)1oxopropan2yl)oxy347trimethylchromen2one
Clc1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C(Oc1cc(C)cc2c1c(C)c(c(=O)o2)C)C
InChI=1SC30H34ClNO5c1171524(2618(2)19(3)29(34)3725(26)1617)3620(4)28(33)32141330(35)1265723(30)27(32)2181022(31)11921h811151620232735H571214H214H3t20?232730m0s1
ZINC000012865813
ZINC000012865823

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Available files

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