Vitas-M small molecule compound
9-{2-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethoxy}-7-methyl-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
Catalog ID
STL004122
SMILES Cc1cc(OCC(=O)N2CCC3(C(C2c2ccc(cc2)Cl)CCCC3)O)c2c(c1)oc(=O)c1c2CCC1
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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 C30H32ClNO5 MW 522.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32ClNO5/c1-18-15-24(27-21-5-4-6-22(21)29(34)37-25(27)16-18)36-17-26(33)32-14-13-30(35)12-3-2-7-23(30)28(32)19-8-10-20(31)11-9-19/h8-11,15-16,23,28,35H,2-7,12-14,17H2,1H3InChIKey
NGNXSLTURYOURJ-UHFFFAOYSA-NSynonyms
9(2((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)7methyl23dihydrocyclopenta(c)chromen4(1H)one
9(2(1(4chlorophenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)7methyl23dihydro1Hcyclopenta(c)chromen4one
9(2(1(4CHLOROPHENYL)4AHYDROXYOCTAHYDROISOQUINOLIN2(1H)YL)2OXOETHOXY)7METHYL23DIHYDROCYCLOPENTA(C)CHROMEN4(1H)ONE
CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC(=O)N4CCC5(CCCCC5C4C6=CC=C(C=C6)Cl)O
Cc1cc(OCC(=O)N2CCC3(C((C@@H)2c2ccc(cc2)Cl)CCCC3)O)c2c(c1)oc(=O)c1c2CCC1
InChI=1SC30H32ClNO5c1181524(272154622(21)29(34)3725(27)1618)361726(33)32141330(35)1232723(30)28(32)1981020(31)11919h8111516232835H27121417H21H3
MFCD18185367
ZINC000002113924
ZINC000257173435
Check stock
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Check stock on Vitas-MAvailable files
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